USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 790 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 HIS :FLIP no HE2:sc= -2.38! C(o=-4.4!,f=-3.3!) USER MOD Set 1.2: A 51 GLN : amide:sc= -0.928 K(o=-3.3,f=-4.8) USER MOD Single : A 0 SER N :NH3+ 168:sc= -0.0523 (180deg=-0.264) USER MOD Single : A 0 SER OG : rot 66:sc= 0.354 USER MOD Single : A 3 GLN : amide:sc= -2.76 K(o=-2.8,f=-5.2!) USER MOD Single : A 5 SER OG : rot -51:sc= 0.839 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 69:sc= 0.251 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -1.88! C(o=-1.9!,f=-1.9!) USER MOD Single : A 16 GLN : amide:sc= -0.943 X(o=-0.94,f=-0.47) USER MOD Single : A 19 ASN : amide:sc= -0.0988 X(o=-0.099,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.478 USER MOD Single : A 31 THR OG1 : rot 85:sc= 1.21 USER MOD Single : A 38 ASN : amide:sc= -1.49 K(o=-1.5,f=-3.4!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0889 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0916) USER MOD Single : A 54 THR OG1 : rot -67:sc= 0.513 USER MOD Single : A 55 ASN : amide:sc= -0.109 X(o=-0.11,f=-0.11) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN :FLIP amide:sc= -5.73! C(o=-6.3!,f=-5.7!) USER MOD Single : A 74 GLN : amide:sc= -0.428 K(o=-0.43,f=-4.4!) USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 ASN : amide:sc= -0.535 K(o=-0.54,f=-1.2) USER MOD Single : A 90 GLN : amide:sc=-0.00846 K(o=-0.0085,f=-1.2!) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 0 2.262 -2.688 -1.137 1.00 0.00 N ATOM 9 CA SER A 0 1.883 -2.788 -2.542 1.00 0.00 C ATOM 10 C SER A 0 2.775 -3.785 -3.275 1.00 0.00 C ATOM 11 O SER A 0 2.956 -3.696 -4.489 1.00 0.00 O ATOM 12 CB SER A 0 1.970 -1.417 -3.215 1.00 0.00 C ATOM 13 OG SER A 0 3.267 -1.187 -3.738 1.00 0.00 O ATOM 0 H1 SER A 0 1.788 -1.869 -0.707 1.00 0.00 H new ATOM 0 H2 SER A 0 1.977 -3.555 -0.638 1.00 0.00 H new ATOM 0 H3 SER A 0 3.293 -2.569 -1.063 1.00 0.00 H new ATOM 0 HA SER A 0 0.854 -3.143 -2.591 1.00 0.00 H new ATOM 0 HB2 SER A 0 1.235 -1.355 -4.017 1.00 0.00 H new ATOM 0 HB3 SER A 0 1.722 -0.638 -2.494 1.00 0.00 H new ATOM 0 HG SER A 0 3.444 -1.821 -4.464 1.00 0.00 H new ATOM 19 N ALA A 1 3.331 -4.733 -2.528 1.00 0.00 N ATOM 20 CA ALA A 1 4.202 -5.748 -3.106 1.00 0.00 C ATOM 21 C ALA A 1 3.418 -7.004 -3.469 1.00 0.00 C ATOM 22 O ALA A 1 3.574 -7.552 -4.561 1.00 0.00 O ATOM 23 CB ALA A 1 5.329 -6.088 -2.142 1.00 0.00 C ATOM 0 H ALA A 1 3.193 -4.819 -1.521 1.00 0.00 H new ATOM 0 HA ALA A 1 4.631 -5.342 -4.022 1.00 0.00 H new ATOM 0 HB1 ALA A 1 5.972 -6.848 -2.587 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.915 -5.192 -1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 1 4.909 -6.468 -1.211 1.00 0.00 H new ATOM 29 N ARG A 2 2.574 -7.457 -2.547 1.00 0.00 N ATOM 30 CA ARG A 2 1.766 -8.650 -2.770 1.00 0.00 C ATOM 31 C ARG A 2 0.785 -8.435 -3.919 1.00 0.00 C ATOM 32 O ARG A 2 0.456 -9.370 -4.648 1.00 0.00 O ATOM 33 CB ARG A 2 1.004 -9.020 -1.496 1.00 0.00 C ATOM 34 CG ARG A 2 0.071 -10.208 -1.669 1.00 0.00 C ATOM 35 CD ARG A 2 0.831 -11.458 -2.084 1.00 0.00 C ATOM 36 NE ARG A 2 0.277 -12.663 -1.473 1.00 0.00 N ATOM 37 CZ ARG A 2 -0.798 -13.293 -1.934 1.00 0.00 C ATOM 38 NH1 ARG A 2 -1.431 -12.835 -3.005 1.00 0.00 N ATOM 39 NH2 ARG A 2 -1.241 -14.385 -1.323 1.00 0.00 N ATOM 0 H ARG A 2 2.432 -7.016 -1.638 1.00 0.00 H new ATOM 0 HA ARG A 2 2.435 -9.468 -3.036 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.721 -9.243 -0.706 1.00 0.00 H new ATOM 0 HB3 ARG A 2 0.424 -8.158 -1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -0.458 -10.396 -0.734 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -0.683 -9.973 -2.420 1.00 0.00 H new ATOM 0 HD2 ARG A 2 0.803 -11.556 -3.169 1.00 0.00 H new ATOM 0 HD3 ARG A 2 1.879 -11.356 -1.800 1.00 0.00 H new ATOM 0 HE ARG A 2 0.741 -13.042 -0.647 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -1.093 -11.997 -3.478 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -2.256 -13.321 -3.356 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -0.756 -14.741 -0.499 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -2.066 -14.868 -1.677 1.00 0.00 H new ATOM 53 N GLN A 3 0.323 -7.199 -4.072 1.00 0.00 N ATOM 54 CA GLN A 3 -0.622 -6.863 -5.131 1.00 0.00 C ATOM 55 C GLN A 3 0.020 -7.029 -6.505 1.00 0.00 C ATOM 56 O GLN A 3 -0.622 -7.492 -7.449 1.00 0.00 O ATOM 57 CB GLN A 3 -1.124 -5.428 -4.959 1.00 0.00 C ATOM 58 CG GLN A 3 -0.008 -4.409 -4.796 1.00 0.00 C ATOM 59 CD GLN A 3 -0.522 -2.983 -4.753 1.00 0.00 C ATOM 60 OE1 GLN A 3 -0.246 -2.184 -5.649 1.00 0.00 O ATOM 61 NE2 GLN A 3 -1.275 -2.656 -3.710 1.00 0.00 N ATOM 0 H GLN A 3 0.587 -6.414 -3.477 1.00 0.00 H new ATOM 0 HA GLN A 3 -1.468 -7.547 -5.060 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -1.729 -5.157 -5.825 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -1.777 -5.382 -4.087 1.00 0.00 H new ATOM 0 HG2 GLN A 3 0.541 -4.621 -3.879 1.00 0.00 H new ATOM 0 HG3 GLN A 3 0.697 -4.513 -5.621 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -1.479 -3.350 -2.991 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -1.650 -1.711 -3.628 1.00 0.00 H new ATOM 70 N LEU A 4 1.288 -6.648 -6.610 1.00 0.00 N ATOM 71 CA LEU A 4 2.017 -6.754 -7.869 1.00 0.00 C ATOM 72 C LEU A 4 2.765 -8.081 -7.955 1.00 0.00 C ATOM 73 O LEU A 4 3.294 -8.439 -9.007 1.00 0.00 O ATOM 74 CB LEU A 4 3.000 -5.591 -8.011 1.00 0.00 C ATOM 75 CG LEU A 4 2.488 -4.368 -8.773 1.00 0.00 C ATOM 76 CD1 LEU A 4 1.234 -3.815 -8.112 1.00 0.00 C ATOM 77 CD2 LEU A 4 3.567 -3.299 -8.852 1.00 0.00 C ATOM 0 H LEU A 4 1.833 -6.263 -5.839 1.00 0.00 H new ATOM 0 HA LEU A 4 1.294 -6.712 -8.684 1.00 0.00 H new ATOM 0 HB2 LEU A 4 3.301 -5.272 -7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 4 3.896 -5.958 -8.512 1.00 0.00 H new ATOM 0 HG LEU A 4 2.234 -4.675 -9.788 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.883 -2.945 -8.667 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.457 -4.580 -8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 4 1.462 -3.523 -7.087 1.00 0.00 H new ATOM 0 HD21 LEU A 4 3.185 -2.436 -9.398 1.00 0.00 H new ATOM 0 HD22 LEU A 4 3.852 -2.994 -7.845 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.438 -3.699 -9.370 1.00 0.00 H new ATOM 89 N SER A 5 2.802 -8.807 -6.842 1.00 0.00 N ATOM 90 CA SER A 5 3.486 -10.094 -6.791 1.00 0.00 C ATOM 91 C SER A 5 2.832 -11.094 -7.740 1.00 0.00 C ATOM 92 O SER A 5 3.408 -12.135 -8.056 1.00 0.00 O ATOM 93 CB SER A 5 3.475 -10.645 -5.364 1.00 0.00 C ATOM 94 OG SER A 5 2.211 -11.196 -5.040 1.00 0.00 O ATOM 0 H SER A 5 2.366 -8.526 -5.964 1.00 0.00 H new ATOM 0 HA SER A 5 4.518 -9.942 -7.106 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.246 -11.409 -5.260 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.719 -9.848 -4.661 1.00 0.00 H new ATOM 0 HG SER A 5 1.507 -10.547 -5.252 1.00 0.00 H new ATOM 100 N LYS A 6 1.625 -10.770 -8.191 1.00 0.00 N ATOM 101 CA LYS A 6 0.891 -11.638 -9.105 1.00 0.00 C ATOM 102 C LYS A 6 1.786 -12.105 -10.249 1.00 0.00 C ATOM 103 O LYS A 6 1.650 -13.227 -10.738 1.00 0.00 O ATOM 104 CB LYS A 6 -0.331 -10.906 -9.665 1.00 0.00 C ATOM 105 CG LYS A 6 -1.241 -11.792 -10.498 1.00 0.00 C ATOM 106 CD LYS A 6 -2.007 -10.986 -11.534 1.00 0.00 C ATOM 107 CE LYS A 6 -2.393 -11.841 -12.731 1.00 0.00 C ATOM 108 NZ LYS A 6 -2.517 -11.031 -13.974 1.00 0.00 N ATOM 0 H LYS A 6 1.134 -9.912 -7.939 1.00 0.00 H new ATOM 0 HA LYS A 6 0.559 -12.513 -8.547 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.904 -10.487 -8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 6 0.006 -10.069 -10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.647 -12.558 -10.997 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.944 -12.309 -9.845 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.905 -10.567 -11.080 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.397 -10.146 -11.867 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.644 -12.619 -12.878 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.339 -12.343 -12.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.781 -11.650 -14.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.249 -10.304 -13.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.607 -10.572 -14.182 1.00 0.00 H new ATOM 122 N LEU A 7 2.701 -11.238 -10.669 1.00 0.00 N ATOM 123 CA LEU A 7 3.620 -11.562 -11.755 1.00 0.00 C ATOM 124 C LEU A 7 4.927 -12.130 -11.211 1.00 0.00 C ATOM 125 O LEU A 7 5.605 -12.909 -11.882 1.00 0.00 O ATOM 126 CB LEU A 7 3.903 -10.318 -12.598 1.00 0.00 C ATOM 127 CG LEU A 7 5.095 -10.410 -13.552 1.00 0.00 C ATOM 128 CD1 LEU A 7 4.873 -9.527 -14.770 1.00 0.00 C ATOM 129 CD2 LEU A 7 6.381 -10.023 -12.837 1.00 0.00 C ATOM 0 H LEU A 7 2.826 -10.306 -10.274 1.00 0.00 H new ATOM 0 HA LEU A 7 3.150 -12.319 -12.382 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.012 -10.090 -13.183 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.066 -9.477 -11.924 1.00 0.00 H new ATOM 0 HG LEU A 7 5.187 -11.442 -13.890 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.731 -9.605 -15.437 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.974 -9.851 -15.295 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.754 -8.491 -14.452 1.00 0.00 H new ATOM 0 HD21 LEU A 7 7.219 -10.094 -13.531 1.00 0.00 H new ATOM 0 HD22 LEU A 7 6.300 -9.000 -12.470 1.00 0.00 H new ATOM 0 HD23 LEU A 7 6.547 -10.697 -11.997 1.00 0.00 H new ATOM 141 N LYS A 8 5.274 -11.737 -9.991 1.00 0.00 N ATOM 142 CA LYS A 8 6.498 -12.209 -9.353 1.00 0.00 C ATOM 143 C LYS A 8 6.678 -13.708 -9.566 1.00 0.00 C ATOM 144 O LYS A 8 7.630 -14.142 -10.215 1.00 0.00 O ATOM 145 CB LYS A 8 6.471 -11.895 -7.856 1.00 0.00 C ATOM 146 CG LYS A 8 7.797 -12.145 -7.158 1.00 0.00 C ATOM 147 CD LYS A 8 7.597 -12.762 -5.784 1.00 0.00 C ATOM 148 CE LYS A 8 8.506 -12.121 -4.747 1.00 0.00 C ATOM 149 NZ LYS A 8 7.871 -10.933 -4.112 1.00 0.00 N ATOM 0 H LYS A 8 4.725 -11.092 -9.423 1.00 0.00 H new ATOM 0 HA LYS A 8 7.341 -11.691 -9.811 1.00 0.00 H new ATOM 0 HB2 LYS A 8 6.188 -10.852 -7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.700 -12.501 -7.380 1.00 0.00 H new ATOM 0 HG2 LYS A 8 8.412 -12.806 -7.769 1.00 0.00 H new ATOM 0 HG3 LYS A 8 8.340 -11.205 -7.060 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.557 -12.645 -5.480 1.00 0.00 H new ATOM 0 HD3 LYS A 8 7.797 -13.832 -5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 8 8.755 -12.854 -3.979 1.00 0.00 H new ATOM 0 HE3 LYS A 8 9.442 -11.824 -5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 8.522 -10.524 -3.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.657 -10.223 -4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 6.990 -11.221 -3.640 1.00 0.00 H new ATOM 163 N ARG A 9 5.759 -14.495 -9.016 1.00 0.00 N ATOM 164 CA ARG A 9 5.817 -15.945 -9.146 1.00 0.00 C ATOM 165 C ARG A 9 5.996 -16.354 -10.605 1.00 0.00 C ATOM 166 O ARG A 9 6.871 -17.155 -10.934 1.00 0.00 O ATOM 167 CB ARG A 9 4.547 -16.581 -8.579 1.00 0.00 C ATOM 168 CG ARG A 9 4.182 -16.080 -7.191 1.00 0.00 C ATOM 169 CD ARG A 9 3.027 -16.872 -6.598 1.00 0.00 C ATOM 170 NE ARG A 9 1.871 -16.906 -7.491 1.00 0.00 N ATOM 171 CZ ARG A 9 0.832 -17.716 -7.317 1.00 0.00 C ATOM 172 NH1 ARG A 9 0.805 -18.553 -6.289 1.00 0.00 N ATOM 173 NH2 ARG A 9 -0.182 -17.688 -8.172 1.00 0.00 N ATOM 0 H ARG A 9 4.965 -14.152 -8.476 1.00 0.00 H new ATOM 0 HA ARG A 9 6.677 -16.301 -8.579 1.00 0.00 H new ATOM 0 HB2 ARG A 9 3.717 -16.382 -9.257 1.00 0.00 H new ATOM 0 HB3 ARG A 9 4.677 -17.663 -8.543 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.050 -16.155 -6.536 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.912 -15.025 -7.243 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.355 -17.891 -6.390 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.736 -16.430 -5.645 1.00 0.00 H new ATOM 0 HE ARG A 9 1.861 -16.274 -8.291 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.583 -18.576 -5.630 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.006 -19.174 -6.158 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.164 -17.045 -8.963 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -0.979 -18.310 -8.038 1.00 0.00 H new ATOM 187 N PHE A 10 5.160 -15.798 -11.476 1.00 0.00 N ATOM 188 CA PHE A 10 5.224 -16.105 -12.900 1.00 0.00 C ATOM 189 C PHE A 10 6.644 -15.930 -13.431 1.00 0.00 C ATOM 190 O PHE A 10 7.198 -16.830 -14.064 1.00 0.00 O ATOM 191 CB PHE A 10 4.261 -15.208 -13.681 1.00 0.00 C ATOM 192 CG PHE A 10 3.785 -15.817 -14.969 1.00 0.00 C ATOM 193 CD1 PHE A 10 4.692 -16.289 -15.904 1.00 0.00 C ATOM 194 CD2 PHE A 10 2.431 -15.919 -15.243 1.00 0.00 C ATOM 195 CE1 PHE A 10 4.256 -16.849 -17.090 1.00 0.00 C ATOM 196 CE2 PHE A 10 1.989 -16.479 -16.427 1.00 0.00 C ATOM 197 CZ PHE A 10 2.903 -16.945 -17.352 1.00 0.00 C ATOM 0 H PHE A 10 4.430 -15.133 -11.220 1.00 0.00 H new ATOM 0 HA PHE A 10 4.930 -17.146 -13.035 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.398 -14.983 -13.054 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.754 -14.260 -13.897 1.00 0.00 H new ATOM 0 HD1 PHE A 10 5.751 -16.219 -15.704 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.712 -15.557 -14.523 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.973 -17.211 -17.812 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.931 -16.552 -16.629 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.561 -17.383 -18.278 1.00 0.00 H new ATOM 207 N LEU A 11 7.227 -14.766 -13.170 1.00 0.00 N ATOM 208 CA LEU A 11 8.583 -14.471 -13.621 1.00 0.00 C ATOM 209 C LEU A 11 9.582 -15.456 -13.023 1.00 0.00 C ATOM 210 O LEU A 11 10.436 -15.995 -13.728 1.00 0.00 O ATOM 211 CB LEU A 11 8.969 -13.041 -13.238 1.00 0.00 C ATOM 212 CG LEU A 11 9.432 -12.141 -14.385 1.00 0.00 C ATOM 213 CD1 LEU A 11 10.783 -12.599 -14.911 1.00 0.00 C ATOM 214 CD2 LEU A 11 8.399 -12.128 -15.502 1.00 0.00 C ATOM 0 H LEU A 11 6.782 -14.011 -12.648 1.00 0.00 H new ATOM 0 HA LEU A 11 8.608 -14.570 -14.706 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.111 -12.571 -12.757 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.765 -13.087 -12.495 1.00 0.00 H new ATOM 0 HG LEU A 11 9.539 -11.125 -14.004 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.096 -11.947 -15.726 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.520 -12.556 -14.109 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.703 -13.623 -15.276 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.745 -11.483 -16.310 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.260 -13.141 -15.881 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.451 -11.751 -15.117 1.00 0.00 H new ATOM 226 N THR A 12 9.468 -15.690 -11.719 1.00 0.00 N ATOM 227 CA THR A 12 10.360 -16.611 -11.027 1.00 0.00 C ATOM 228 C THR A 12 10.415 -17.960 -11.735 1.00 0.00 C ATOM 229 O THR A 12 11.478 -18.402 -12.172 1.00 0.00 O ATOM 230 CB THR A 12 9.921 -16.828 -9.567 1.00 0.00 C ATOM 231 OG1 THR A 12 9.975 -15.589 -8.850 1.00 0.00 O ATOM 232 CG2 THR A 12 10.809 -17.856 -8.881 1.00 0.00 C ATOM 0 H THR A 12 8.766 -15.254 -11.121 1.00 0.00 H new ATOM 0 HA THR A 12 11.351 -16.158 -11.037 1.00 0.00 H new ATOM 0 HB THR A 12 8.897 -17.201 -9.571 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.280 -14.986 -9.186 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.479 -17.992 -7.851 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.743 -18.806 -9.412 1.00 0.00 H new ATOM 0 HG23 THR A 12 11.842 -17.507 -8.888 1.00 0.00 H new ATOM 240 N THR A 13 9.261 -18.611 -11.847 1.00 0.00 N ATOM 241 CA THR A 13 9.178 -19.911 -12.502 1.00 0.00 C ATOM 242 C THR A 13 9.482 -19.796 -13.991 1.00 0.00 C ATOM 243 O THR A 13 10.037 -20.716 -14.595 1.00 0.00 O ATOM 244 CB THR A 13 7.785 -20.543 -12.321 1.00 0.00 C ATOM 245 OG1 THR A 13 7.722 -21.796 -13.011 1.00 0.00 O ATOM 246 CG2 THR A 13 6.698 -19.615 -12.844 1.00 0.00 C ATOM 0 H THR A 13 8.371 -18.259 -11.493 1.00 0.00 H new ATOM 0 HA THR A 13 9.923 -20.551 -12.030 1.00 0.00 H new ATOM 0 HB THR A 13 7.620 -20.707 -11.256 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.834 -22.192 -12.890 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.723 -20.082 -12.706 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.730 -18.673 -12.297 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.862 -19.424 -13.905 1.00 0.00 H new ATOM 254 N LEU A 14 9.116 -18.663 -14.579 1.00 0.00 N ATOM 255 CA LEU A 14 9.351 -18.427 -16.000 1.00 0.00 C ATOM 256 C LEU A 14 10.842 -18.471 -16.320 1.00 0.00 C ATOM 257 O LEU A 14 11.260 -19.115 -17.282 1.00 0.00 O ATOM 258 CB LEU A 14 8.768 -17.076 -16.416 1.00 0.00 C ATOM 259 CG LEU A 14 9.184 -16.561 -17.795 1.00 0.00 C ATOM 260 CD1 LEU A 14 8.023 -15.849 -18.471 1.00 0.00 C ATOM 261 CD2 LEU A 14 10.385 -15.635 -17.679 1.00 0.00 C ATOM 0 H LEU A 14 8.655 -17.893 -14.094 1.00 0.00 H new ATOM 0 HA LEU A 14 8.854 -19.218 -16.562 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.681 -17.149 -16.390 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.056 -16.334 -15.671 1.00 0.00 H new ATOM 0 HG LEU A 14 9.468 -17.415 -18.410 1.00 0.00 H new ATOM 0 HD11 LEU A 14 8.337 -15.489 -19.451 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.190 -16.542 -18.589 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.708 -15.004 -17.858 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.667 -15.279 -18.670 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.129 -14.785 -17.047 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.221 -16.177 -17.237 1.00 0.00 H new ATOM 273 N GLN A 15 11.637 -17.785 -15.506 1.00 0.00 N ATOM 274 CA GLN A 15 13.081 -17.747 -15.703 1.00 0.00 C ATOM 275 C GLN A 15 13.742 -18.993 -15.123 1.00 0.00 C ATOM 276 O GLN A 15 14.779 -19.440 -15.610 1.00 0.00 O ATOM 277 CB GLN A 15 13.673 -16.494 -15.056 1.00 0.00 C ATOM 278 CG GLN A 15 15.061 -16.707 -14.473 1.00 0.00 C ATOM 279 CD GLN A 15 15.023 -17.291 -13.075 1.00 0.00 C ATOM 280 OE1 GLN A 15 15.683 -18.291 -12.789 1.00 0.00 O ATOM 281 NE2 GLN A 15 14.248 -16.670 -12.193 1.00 0.00 N ATOM 0 H GLN A 15 11.306 -17.248 -14.704 1.00 0.00 H new ATOM 0 HA GLN A 15 13.275 -17.720 -16.775 1.00 0.00 H new ATOM 0 HB2 GLN A 15 13.719 -15.698 -15.800 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.004 -16.153 -14.265 1.00 0.00 H new ATOM 0 HG2 GLN A 15 15.627 -17.372 -15.125 1.00 0.00 H new ATOM 0 HG3 GLN A 15 15.592 -15.755 -14.451 1.00 0.00 H new ATOM 0 HE21 GLN A 15 13.718 -15.844 -12.472 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.183 -17.019 -11.237 1.00 0.00 H new ATOM 290 N GLN A 16 13.134 -19.548 -14.079 1.00 0.00 N ATOM 291 CA GLN A 16 13.665 -20.742 -13.432 1.00 0.00 C ATOM 292 C GLN A 16 13.532 -21.959 -14.342 1.00 0.00 C ATOM 293 O GLN A 16 14.499 -22.687 -14.568 1.00 0.00 O ATOM 294 CB GLN A 16 12.939 -20.997 -12.110 1.00 0.00 C ATOM 295 CG GLN A 16 12.921 -22.461 -11.699 1.00 0.00 C ATOM 296 CD GLN A 16 14.313 -23.042 -11.549 1.00 0.00 C ATOM 297 OE1 GLN A 16 15.142 -22.514 -10.808 1.00 0.00 O ATOM 298 NE2 GLN A 16 14.576 -24.136 -12.254 1.00 0.00 N ATOM 0 H GLN A 16 12.274 -19.190 -13.664 1.00 0.00 H new ATOM 0 HA GLN A 16 14.723 -20.576 -13.231 1.00 0.00 H new ATOM 0 HB2 GLN A 16 13.417 -20.413 -11.324 1.00 0.00 H new ATOM 0 HB3 GLN A 16 11.913 -20.639 -12.193 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.385 -22.563 -10.755 1.00 0.00 H new ATOM 0 HG3 GLN A 16 12.369 -23.036 -12.442 1.00 0.00 H new ATOM 0 HE21 GLN A 16 13.858 -24.540 -12.856 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.496 -24.573 -12.194 1.00 0.00 H new ATOM 307 N PHE A 17 12.328 -22.174 -14.862 1.00 0.00 N ATOM 308 CA PHE A 17 12.068 -23.304 -15.746 1.00 0.00 C ATOM 309 C PHE A 17 12.415 -22.955 -17.191 1.00 0.00 C ATOM 310 O PHE A 17 12.450 -23.825 -18.060 1.00 0.00 O ATOM 311 CB PHE A 17 10.601 -23.727 -15.650 1.00 0.00 C ATOM 312 CG PHE A 17 10.413 -25.210 -15.505 1.00 0.00 C ATOM 313 CD1 PHE A 17 10.442 -25.806 -14.255 1.00 0.00 C ATOM 314 CD2 PHE A 17 10.207 -26.008 -16.619 1.00 0.00 C ATOM 315 CE1 PHE A 17 10.269 -27.171 -14.117 1.00 0.00 C ATOM 316 CE2 PHE A 17 10.033 -27.373 -16.488 1.00 0.00 C ATOM 317 CZ PHE A 17 10.065 -27.955 -15.236 1.00 0.00 C ATOM 0 H PHE A 17 11.517 -21.581 -14.686 1.00 0.00 H new ATOM 0 HA PHE A 17 12.700 -24.134 -15.429 1.00 0.00 H new ATOM 0 HB2 PHE A 17 10.142 -23.226 -14.798 1.00 0.00 H new ATOM 0 HB3 PHE A 17 10.074 -23.388 -16.542 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.602 -25.197 -13.377 1.00 0.00 H new ATOM 0 HD2 PHE A 17 10.182 -25.558 -17.601 1.00 0.00 H new ATOM 0 HE1 PHE A 17 10.293 -27.623 -13.137 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.872 -27.984 -17.364 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.931 -29.022 -15.132 1.00 0.00 H new ATOM 327 N GLY A 18 12.670 -21.674 -17.439 1.00 0.00 N ATOM 328 CA GLY A 18 13.010 -21.231 -18.778 1.00 0.00 C ATOM 329 C GLY A 18 14.223 -21.950 -19.336 1.00 0.00 C ATOM 330 O GLY A 18 14.412 -22.011 -20.550 1.00 0.00 O ATOM 0 H GLY A 18 12.647 -20.935 -16.736 1.00 0.00 H new ATOM 0 HA2 GLY A 18 12.159 -21.395 -19.439 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.202 -20.158 -18.765 1.00 0.00 H new ATOM 334 N ASN A 19 15.047 -22.494 -18.447 1.00 0.00 N ATOM 335 CA ASN A 19 16.249 -23.210 -18.858 1.00 0.00 C ATOM 336 C ASN A 19 15.922 -24.652 -19.233 1.00 0.00 C ATOM 337 O ASN A 19 16.760 -25.367 -19.784 1.00 0.00 O ATOM 338 CB ASN A 19 17.290 -23.187 -17.737 1.00 0.00 C ATOM 339 CG ASN A 19 17.182 -24.391 -16.822 1.00 0.00 C ATOM 340 OD1 ASN A 19 18.112 -25.191 -16.717 1.00 0.00 O ATOM 341 ND2 ASN A 19 16.042 -24.525 -16.153 1.00 0.00 N ATOM 0 H ASN A 19 14.905 -22.453 -17.438 1.00 0.00 H new ATOM 0 HA ASN A 19 16.658 -22.709 -19.735 1.00 0.00 H new ATOM 0 HB2 ASN A 19 18.288 -23.154 -18.173 1.00 0.00 H new ATOM 0 HB3 ASN A 19 17.168 -22.276 -17.150 1.00 0.00 H new ATOM 0 HD21 ASN A 19 15.911 -25.315 -15.522 1.00 0.00 H new ATOM 0 HD22 ASN A 19 15.298 -23.838 -16.271 1.00 0.00 H new ATOM 348 N ASP A 20 14.699 -25.073 -18.930 1.00 0.00 N ATOM 349 CA ASP A 20 14.260 -26.430 -19.236 1.00 0.00 C ATOM 350 C ASP A 20 13.720 -26.518 -20.660 1.00 0.00 C ATOM 351 O ASP A 20 14.085 -27.417 -21.418 1.00 0.00 O ATOM 352 CB ASP A 20 13.187 -26.878 -18.243 1.00 0.00 C ATOM 353 CG ASP A 20 12.986 -28.381 -18.245 1.00 0.00 C ATOM 354 OD1 ASP A 20 13.133 -28.997 -19.322 1.00 0.00 O ATOM 355 OD2 ASP A 20 12.684 -28.940 -17.171 1.00 0.00 O ATOM 0 H ASP A 20 13.994 -24.495 -18.473 1.00 0.00 H new ATOM 0 HA ASP A 20 15.122 -27.092 -19.151 1.00 0.00 H new ATOM 0 HB2 ASP A 20 13.466 -26.553 -17.241 1.00 0.00 H new ATOM 0 HB3 ASP A 20 12.244 -26.388 -18.486 1.00 0.00 H new ATOM 360 N ILE A 21 12.849 -25.580 -21.017 1.00 0.00 N ATOM 361 CA ILE A 21 12.259 -25.552 -22.349 1.00 0.00 C ATOM 362 C ILE A 21 13.333 -25.653 -23.428 1.00 0.00 C ATOM 363 O ILE A 21 13.157 -26.346 -24.430 1.00 0.00 O ATOM 364 CB ILE A 21 11.440 -24.267 -22.576 1.00 0.00 C ATOM 365 CG1 ILE A 21 11.006 -24.165 -24.039 1.00 0.00 C ATOM 366 CG2 ILE A 21 12.250 -23.045 -22.171 1.00 0.00 C ATOM 367 CD1 ILE A 21 10.158 -22.947 -24.334 1.00 0.00 C ATOM 0 H ILE A 21 12.536 -24.829 -20.402 1.00 0.00 H new ATOM 0 HA ILE A 21 11.595 -26.414 -22.418 1.00 0.00 H new ATOM 0 HB ILE A 21 10.546 -24.308 -21.954 1.00 0.00 H new ATOM 0 HG12 ILE A 21 11.893 -24.142 -24.672 1.00 0.00 H new ATOM 0 HG13 ILE A 21 10.446 -25.061 -24.307 1.00 0.00 H new ATOM 0 HG21 ILE A 21 11.658 -22.145 -22.337 1.00 0.00 H new ATOM 0 HG22 ILE A 21 12.513 -23.116 -21.116 1.00 0.00 H new ATOM 0 HG23 ILE A 21 13.160 -22.997 -22.770 1.00 0.00 H new ATOM 0 HD11 ILE A 21 9.887 -22.939 -25.390 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.253 -22.978 -23.727 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.722 -22.045 -24.098 1.00 0.00 H new ATOM 379 N SER A 22 14.446 -24.959 -23.214 1.00 0.00 N ATOM 380 CA SER A 22 15.549 -24.969 -24.168 1.00 0.00 C ATOM 381 C SER A 22 16.686 -24.071 -23.694 1.00 0.00 C ATOM 382 O SER A 22 16.505 -23.186 -22.856 1.00 0.00 O ATOM 383 CB SER A 22 15.063 -24.512 -25.545 1.00 0.00 C ATOM 384 OG SER A 22 14.036 -23.543 -25.428 1.00 0.00 O ATOM 0 H SER A 22 14.608 -24.383 -22.388 1.00 0.00 H new ATOM 0 HA SER A 22 15.923 -25.990 -24.242 1.00 0.00 H new ATOM 0 HB2 SER A 22 15.898 -24.095 -26.109 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.695 -25.370 -26.107 1.00 0.00 H new ATOM 0 HG SER A 22 13.744 -23.266 -26.322 1.00 0.00 H new ATOM 390 N PRO A 23 17.889 -24.302 -24.241 1.00 0.00 N ATOM 391 CA PRO A 23 19.081 -23.524 -23.889 1.00 0.00 C ATOM 392 C PRO A 23 19.012 -22.091 -24.407 1.00 0.00 C ATOM 393 O PRO A 23 19.241 -21.141 -23.660 1.00 0.00 O ATOM 394 CB PRO A 23 20.217 -24.286 -24.576 1.00 0.00 C ATOM 395 CG PRO A 23 19.565 -24.995 -25.713 1.00 0.00 C ATOM 396 CD PRO A 23 18.178 -25.339 -25.245 1.00 0.00 C ATOM 0 HA PRO A 23 19.203 -23.431 -22.810 1.00 0.00 H new ATOM 0 HB2 PRO A 23 20.994 -23.607 -24.926 1.00 0.00 H new ATOM 0 HB3 PRO A 23 20.693 -24.989 -23.892 1.00 0.00 H new ATOM 0 HG2 PRO A 23 19.532 -24.362 -26.600 1.00 0.00 H new ATOM 0 HG3 PRO A 23 20.120 -25.893 -25.983 1.00 0.00 H new ATOM 0 HD2 PRO A 23 17.460 -25.316 -26.065 1.00 0.00 H new ATOM 0 HD3 PRO A 23 18.136 -26.339 -24.813 1.00 0.00 H new ATOM 404 N GLU A 24 18.694 -21.945 -25.690 1.00 0.00 N ATOM 405 CA GLU A 24 18.595 -20.627 -26.306 1.00 0.00 C ATOM 406 C GLU A 24 17.650 -19.726 -25.516 1.00 0.00 C ATOM 407 O GLU A 24 18.090 -18.861 -24.757 1.00 0.00 O ATOM 408 CB GLU A 24 18.110 -20.750 -27.752 1.00 0.00 C ATOM 409 CG GLU A 24 17.180 -21.930 -27.983 1.00 0.00 C ATOM 410 CD GLU A 24 17.878 -23.102 -28.646 1.00 0.00 C ATOM 411 OE1 GLU A 24 18.744 -22.864 -29.513 1.00 0.00 O ATOM 412 OE2 GLU A 24 17.557 -24.257 -28.296 1.00 0.00 O ATOM 0 H GLU A 24 18.501 -22.722 -26.322 1.00 0.00 H new ATOM 0 HA GLU A 24 19.588 -20.177 -26.300 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.595 -19.831 -28.033 1.00 0.00 H new ATOM 0 HB3 GLU A 24 18.974 -20.845 -28.410 1.00 0.00 H new ATOM 0 HG2 GLU A 24 16.764 -22.252 -27.028 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.343 -21.612 -28.604 1.00 0.00 H new ATOM 419 N ILE A 25 16.351 -19.936 -25.700 1.00 0.00 N ATOM 420 CA ILE A 25 15.344 -19.144 -25.004 1.00 0.00 C ATOM 421 C ILE A 25 15.617 -19.102 -23.505 1.00 0.00 C ATOM 422 O ILE A 25 15.333 -18.108 -22.839 1.00 0.00 O ATOM 423 CB ILE A 25 13.928 -19.700 -25.242 1.00 0.00 C ATOM 424 CG1 ILE A 25 12.971 -18.571 -25.630 1.00 0.00 C ATOM 425 CG2 ILE A 25 13.427 -20.423 -24.001 1.00 0.00 C ATOM 426 CD1 ILE A 25 12.951 -17.429 -24.638 1.00 0.00 C ATOM 0 H ILE A 25 15.971 -20.647 -26.325 1.00 0.00 H new ATOM 0 HA ILE A 25 15.401 -18.134 -25.409 1.00 0.00 H new ATOM 0 HB ILE A 25 13.968 -20.415 -26.064 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.254 -18.186 -26.610 1.00 0.00 H new ATOM 0 HG13 ILE A 25 11.964 -18.976 -25.726 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.425 -20.810 -24.185 1.00 0.00 H new ATOM 0 HG22 ILE A 25 14.098 -21.249 -23.766 1.00 0.00 H new ATOM 0 HG23 ILE A 25 13.399 -19.728 -23.162 1.00 0.00 H new ATOM 0 HD11 ILE A 25 12.251 -16.665 -24.977 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.638 -17.800 -23.662 1.00 0.00 H new ATOM 0 HD13 ILE A 25 13.949 -16.998 -24.559 1.00 0.00 H new ATOM 438 N GLY A 26 16.171 -20.191 -22.979 1.00 0.00 N ATOM 439 CA GLY A 26 16.475 -20.257 -21.561 1.00 0.00 C ATOM 440 C GLY A 26 17.501 -19.225 -21.139 1.00 0.00 C ATOM 441 O GLY A 26 17.201 -18.330 -20.349 1.00 0.00 O ATOM 0 H GLY A 26 16.414 -21.028 -23.509 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.559 -20.109 -20.989 1.00 0.00 H new ATOM 0 HA3 GLY A 26 16.845 -21.253 -21.318 1.00 0.00 H new ATOM 445 N GLU A 27 18.715 -19.349 -21.665 1.00 0.00 N ATOM 446 CA GLU A 27 19.789 -18.420 -21.335 1.00 0.00 C ATOM 447 C GLU A 27 19.326 -16.975 -21.494 1.00 0.00 C ATOM 448 O GLU A 27 19.684 -16.106 -20.698 1.00 0.00 O ATOM 449 CB GLU A 27 21.007 -18.677 -22.225 1.00 0.00 C ATOM 450 CG GLU A 27 20.947 -17.958 -23.562 1.00 0.00 C ATOM 451 CD GLU A 27 21.933 -18.516 -24.570 1.00 0.00 C ATOM 452 OE1 GLU A 27 23.152 -18.441 -24.311 1.00 0.00 O ATOM 453 OE2 GLU A 27 21.485 -19.028 -25.617 1.00 0.00 O ATOM 0 H GLU A 27 18.979 -20.084 -22.321 1.00 0.00 H new ATOM 0 HA GLU A 27 20.068 -18.582 -20.294 1.00 0.00 H new ATOM 0 HB2 GLU A 27 21.906 -18.365 -21.694 1.00 0.00 H new ATOM 0 HB3 GLU A 27 21.097 -19.749 -22.402 1.00 0.00 H new ATOM 0 HG2 GLU A 27 19.938 -18.034 -23.966 1.00 0.00 H new ATOM 0 HG3 GLU A 27 21.150 -16.898 -23.410 1.00 0.00 H new ATOM 460 N ARG A 28 18.527 -16.725 -22.526 1.00 0.00 N ATOM 461 CA ARG A 28 18.016 -15.386 -22.791 1.00 0.00 C ATOM 462 C ARG A 28 17.053 -14.945 -21.692 1.00 0.00 C ATOM 463 O ARG A 28 17.274 -13.931 -21.029 1.00 0.00 O ATOM 464 CB ARG A 28 17.310 -15.345 -24.147 1.00 0.00 C ATOM 465 CG ARG A 28 17.520 -14.043 -24.904 1.00 0.00 C ATOM 466 CD ARG A 28 18.665 -14.154 -25.898 1.00 0.00 C ATOM 467 NE ARG A 28 19.496 -12.953 -25.913 1.00 0.00 N ATOM 468 CZ ARG A 28 20.550 -12.799 -26.707 1.00 0.00 C ATOM 469 NH1 ARG A 28 20.899 -13.764 -27.545 1.00 0.00 N ATOM 470 NH2 ARG A 28 21.256 -11.676 -26.662 1.00 0.00 N ATOM 0 H ARG A 28 18.219 -17.433 -23.193 1.00 0.00 H new ATOM 0 HA ARG A 28 18.862 -14.699 -22.808 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.668 -16.173 -24.759 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.242 -15.499 -23.996 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.604 -13.776 -25.431 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.727 -13.239 -24.197 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.281 -15.018 -25.647 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.263 -14.329 -26.896 1.00 0.00 H new ATOM 0 HE ARG A 28 19.254 -12.191 -25.279 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.358 -14.628 -27.582 1.00 0.00 H new ATOM 0 HH12 ARG A 28 21.709 -13.643 -28.153 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.989 -10.931 -26.018 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.065 -11.558 -27.271 1.00 0.00 H new ATOM 484 N VAL A 29 15.985 -15.713 -21.504 1.00 0.00 N ATOM 485 CA VAL A 29 14.989 -15.402 -20.485 1.00 0.00 C ATOM 486 C VAL A 29 15.652 -15.001 -19.173 1.00 0.00 C ATOM 487 O VAL A 29 15.389 -13.925 -18.636 1.00 0.00 O ATOM 488 CB VAL A 29 14.054 -16.599 -20.231 1.00 0.00 C ATOM 489 CG1 VAL A 29 13.213 -16.365 -18.986 1.00 0.00 C ATOM 490 CG2 VAL A 29 13.169 -16.851 -21.443 1.00 0.00 C ATOM 0 H VAL A 29 15.787 -16.555 -22.044 1.00 0.00 H new ATOM 0 HA VAL A 29 14.401 -14.565 -20.862 1.00 0.00 H new ATOM 0 HB VAL A 29 14.665 -17.486 -20.066 1.00 0.00 H new ATOM 0 HG11 VAL A 29 12.559 -17.221 -18.823 1.00 0.00 H new ATOM 0 HG12 VAL A 29 13.867 -16.239 -18.123 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.609 -15.467 -19.118 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.515 -17.700 -21.246 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.565 -15.966 -21.642 1.00 0.00 H new ATOM 0 HG23 VAL A 29 13.793 -17.067 -22.310 1.00 0.00 H new ATOM 500 N ARG A 30 16.514 -15.874 -18.661 1.00 0.00 N ATOM 501 CA ARG A 30 17.215 -15.612 -17.410 1.00 0.00 C ATOM 502 C ARG A 30 18.112 -14.384 -17.536 1.00 0.00 C ATOM 503 O ARG A 30 18.128 -13.519 -16.661 1.00 0.00 O ATOM 504 CB ARG A 30 18.050 -16.827 -17.003 1.00 0.00 C ATOM 505 CG ARG A 30 19.069 -17.244 -18.051 1.00 0.00 C ATOM 506 CD ARG A 30 19.558 -18.665 -17.819 1.00 0.00 C ATOM 507 NE ARG A 30 19.833 -18.926 -16.409 1.00 0.00 N ATOM 508 CZ ARG A 30 19.913 -20.146 -15.889 1.00 0.00 C ATOM 509 NH1 ARG A 30 19.739 -21.211 -16.659 1.00 0.00 N ATOM 510 NH2 ARG A 30 20.167 -20.302 -14.596 1.00 0.00 N ATOM 0 H ARG A 30 16.743 -16.769 -19.094 1.00 0.00 H new ATOM 0 HA ARG A 30 16.469 -15.418 -16.639 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.570 -16.604 -16.071 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.383 -17.665 -16.803 1.00 0.00 H new ATOM 0 HG2 ARG A 30 18.624 -17.169 -19.043 1.00 0.00 H new ATOM 0 HG3 ARG A 30 19.916 -16.559 -18.029 1.00 0.00 H new ATOM 0 HD2 ARG A 30 18.808 -19.370 -18.178 1.00 0.00 H new ATOM 0 HD3 ARG A 30 20.462 -18.837 -18.403 1.00 0.00 H new ATOM 0 HE ARG A 30 19.971 -18.128 -15.789 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.543 -21.095 -17.653 1.00 0.00 H new ATOM 0 HH12 ARG A 30 19.801 -22.146 -16.257 1.00 0.00 H new ATOM 0 HH21 ARG A 30 20.301 -19.485 -14.000 1.00 0.00 H new ATOM 0 HH22 ARG A 30 20.228 -21.239 -14.198 1.00 0.00 H new ATOM 524 N THR A 31 18.861 -14.315 -18.633 1.00 0.00 N ATOM 525 CA THR A 31 19.762 -13.196 -18.874 1.00 0.00 C ATOM 526 C THR A 31 19.028 -11.865 -18.761 1.00 0.00 C ATOM 527 O THR A 31 19.401 -11.005 -17.962 1.00 0.00 O ATOM 528 CB THR A 31 20.417 -13.292 -20.265 1.00 0.00 C ATOM 529 OG1 THR A 31 21.415 -14.318 -20.268 1.00 0.00 O ATOM 530 CG2 THR A 31 21.047 -11.964 -20.659 1.00 0.00 C ATOM 0 H THR A 31 18.861 -15.022 -19.368 1.00 0.00 H new ATOM 0 HA THR A 31 20.539 -13.245 -18.111 1.00 0.00 H new ATOM 0 HB THR A 31 19.642 -13.539 -20.990 1.00 0.00 H new ATOM 0 HG1 THR A 31 20.992 -15.185 -20.440 1.00 0.00 H new ATOM 0 HG21 THR A 31 21.503 -12.056 -21.645 1.00 0.00 H new ATOM 0 HG22 THR A 31 20.279 -11.191 -20.685 1.00 0.00 H new ATOM 0 HG23 THR A 31 21.810 -11.693 -19.930 1.00 0.00 H new ATOM 538 N LEU A 32 17.983 -11.701 -19.565 1.00 0.00 N ATOM 539 CA LEU A 32 17.195 -10.473 -19.554 1.00 0.00 C ATOM 540 C LEU A 32 16.550 -10.252 -18.190 1.00 0.00 C ATOM 541 O LEU A 32 16.765 -9.223 -17.549 1.00 0.00 O ATOM 542 CB LEU A 32 16.117 -10.526 -20.638 1.00 0.00 C ATOM 543 CG LEU A 32 16.549 -11.105 -21.986 1.00 0.00 C ATOM 544 CD1 LEU A 32 15.466 -10.889 -23.031 1.00 0.00 C ATOM 545 CD2 LEU A 32 17.861 -10.481 -22.439 1.00 0.00 C ATOM 0 H LEU A 32 17.662 -12.402 -20.232 1.00 0.00 H new ATOM 0 HA LEU A 32 17.866 -9.638 -19.758 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.281 -11.116 -20.263 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.745 -9.515 -20.802 1.00 0.00 H new ATOM 0 HG LEU A 32 16.702 -12.178 -21.867 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.791 -11.307 -23.984 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.549 -11.383 -22.712 1.00 0.00 H new ATOM 0 HD13 LEU A 32 15.281 -9.821 -23.148 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.153 -10.905 -23.400 1.00 0.00 H new ATOM 0 HD22 LEU A 32 17.735 -9.403 -22.541 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.636 -10.687 -21.701 1.00 0.00 H new ATOM 557 N VAL A 33 15.759 -11.226 -17.750 1.00 0.00 N ATOM 558 CA VAL A 33 15.085 -11.139 -16.460 1.00 0.00 C ATOM 559 C VAL A 33 16.063 -10.763 -15.353 1.00 0.00 C ATOM 560 O VAL A 33 16.041 -9.642 -14.844 1.00 0.00 O ATOM 561 CB VAL A 33 14.400 -12.470 -16.095 1.00 0.00 C ATOM 562 CG1 VAL A 33 13.931 -12.449 -14.648 1.00 0.00 C ATOM 563 CG2 VAL A 33 13.238 -12.746 -17.037 1.00 0.00 C ATOM 0 H VAL A 33 15.569 -12.084 -18.268 1.00 0.00 H new ATOM 0 HA VAL A 33 14.327 -10.361 -16.550 1.00 0.00 H new ATOM 0 HB VAL A 33 15.126 -13.275 -16.205 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.450 -13.397 -14.408 1.00 0.00 H new ATOM 0 HG12 VAL A 33 14.787 -12.300 -13.990 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.220 -11.635 -14.508 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.765 -13.690 -16.765 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.508 -11.940 -16.961 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.606 -12.806 -18.061 1.00 0.00 H new ATOM 573 N LEU A 34 16.922 -11.708 -14.984 1.00 0.00 N ATOM 574 CA LEU A 34 17.910 -11.476 -13.936 1.00 0.00 C ATOM 575 C LEU A 34 18.724 -10.219 -14.224 1.00 0.00 C ATOM 576 O LEU A 34 19.124 -9.502 -13.307 1.00 0.00 O ATOM 577 CB LEU A 34 18.842 -12.683 -13.810 1.00 0.00 C ATOM 578 CG LEU A 34 18.161 -14.050 -13.727 1.00 0.00 C ATOM 579 CD1 LEU A 34 19.198 -15.162 -13.716 1.00 0.00 C ATOM 580 CD2 LEU A 34 17.276 -14.131 -12.492 1.00 0.00 C ATOM 0 H LEU A 34 16.954 -12.641 -15.395 1.00 0.00 H new ATOM 0 HA LEU A 34 17.379 -11.335 -12.995 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.517 -12.687 -14.666 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.457 -12.551 -12.920 1.00 0.00 H new ATOM 0 HG LEU A 34 17.532 -14.176 -14.608 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.696 -16.127 -13.657 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.790 -15.117 -14.630 1.00 0.00 H new ATOM 0 HD13 LEU A 34 19.853 -15.040 -12.853 1.00 0.00 H new ATOM 0 HD21 LEU A 34 16.800 -15.110 -12.449 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.883 -13.984 -11.599 1.00 0.00 H new ATOM 0 HD23 LEU A 34 16.510 -13.357 -12.542 1.00 0.00 H new ATOM 592 N GLY A 35 18.965 -9.956 -15.505 1.00 0.00 N ATOM 593 CA GLY A 35 19.729 -8.783 -15.891 1.00 0.00 C ATOM 594 C GLY A 35 19.100 -7.495 -15.399 1.00 0.00 C ATOM 595 O GLY A 35 19.660 -6.810 -14.541 1.00 0.00 O ATOM 0 H GLY A 35 18.645 -10.534 -16.282 1.00 0.00 H new ATOM 0 HA2 GLY A 35 20.741 -8.865 -15.493 1.00 0.00 H new ATOM 0 HA3 GLY A 35 19.815 -8.750 -16.977 1.00 0.00 H new ATOM 599 N LEU A 36 17.936 -7.161 -15.943 1.00 0.00 N ATOM 600 CA LEU A 36 17.231 -5.944 -15.556 1.00 0.00 C ATOM 601 C LEU A 36 16.961 -5.925 -14.055 1.00 0.00 C ATOM 602 O LEU A 36 16.788 -4.862 -13.458 1.00 0.00 O ATOM 603 CB LEU A 36 15.913 -5.828 -16.324 1.00 0.00 C ATOM 604 CG LEU A 36 14.966 -7.024 -16.217 1.00 0.00 C ATOM 605 CD1 LEU A 36 14.096 -6.906 -14.976 1.00 0.00 C ATOM 606 CD2 LEU A 36 14.105 -7.135 -17.467 1.00 0.00 C ATOM 0 H LEU A 36 17.460 -7.716 -16.654 1.00 0.00 H new ATOM 0 HA LEU A 36 17.865 -5.092 -15.803 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.387 -4.941 -15.971 1.00 0.00 H new ATOM 0 HB3 LEU A 36 16.142 -5.665 -17.377 1.00 0.00 H new ATOM 0 HG LEU A 36 15.564 -7.931 -16.131 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.429 -7.766 -14.916 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.729 -6.876 -14.089 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.506 -5.991 -15.031 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.437 -7.991 -17.374 1.00 0.00 H new ATOM 0 HD22 LEU A 36 13.515 -6.226 -17.584 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.745 -7.267 -18.339 1.00 0.00 H new ATOM 618 N VAL A 37 16.929 -7.108 -13.450 1.00 0.00 N ATOM 619 CA VAL A 37 16.684 -7.228 -12.017 1.00 0.00 C ATOM 620 C VAL A 37 17.840 -6.647 -11.212 1.00 0.00 C ATOM 621 O VAL A 37 17.658 -5.717 -10.427 1.00 0.00 O ATOM 622 CB VAL A 37 16.472 -8.696 -11.605 1.00 0.00 C ATOM 623 CG1 VAL A 37 16.535 -8.841 -10.092 1.00 0.00 C ATOM 624 CG2 VAL A 37 15.147 -9.215 -12.144 1.00 0.00 C ATOM 0 H VAL A 37 17.070 -7.997 -13.930 1.00 0.00 H new ATOM 0 HA VAL A 37 15.776 -6.664 -11.802 1.00 0.00 H new ATOM 0 HB VAL A 37 17.273 -9.295 -12.037 1.00 0.00 H new ATOM 0 HG11 VAL A 37 16.383 -9.885 -9.820 1.00 0.00 H new ATOM 0 HG12 VAL A 37 17.511 -8.511 -9.735 1.00 0.00 H new ATOM 0 HG13 VAL A 37 15.756 -8.230 -9.635 1.00 0.00 H new ATOM 0 HG21 VAL A 37 15.014 -10.254 -11.843 1.00 0.00 H new ATOM 0 HG22 VAL A 37 14.331 -8.614 -11.744 1.00 0.00 H new ATOM 0 HG23 VAL A 37 15.146 -9.149 -13.232 1.00 0.00 H new ATOM 634 N ASN A 38 19.031 -7.202 -11.411 1.00 0.00 N ATOM 635 CA ASN A 38 20.219 -6.738 -10.703 1.00 0.00 C ATOM 636 C ASN A 38 21.215 -6.103 -11.668 1.00 0.00 C ATOM 637 O ASN A 38 21.728 -5.012 -11.419 1.00 0.00 O ATOM 638 CB ASN A 38 20.881 -7.901 -9.961 1.00 0.00 C ATOM 639 CG ASN A 38 21.095 -9.109 -10.852 1.00 0.00 C ATOM 640 OD1 ASN A 38 22.100 -9.203 -11.557 1.00 0.00 O ATOM 641 ND2 ASN A 38 20.149 -10.040 -10.824 1.00 0.00 N ATOM 0 H ASN A 38 19.199 -7.974 -12.057 1.00 0.00 H new ATOM 0 HA ASN A 38 19.909 -5.983 -9.981 1.00 0.00 H new ATOM 0 HB2 ASN A 38 21.841 -7.574 -9.561 1.00 0.00 H new ATOM 0 HB3 ASN A 38 20.261 -8.186 -9.111 1.00 0.00 H new ATOM 0 HD21 ASN A 38 20.238 -10.875 -11.402 1.00 0.00 H new ATOM 0 HD22 ASN A 38 19.333 -9.920 -10.224 1.00 0.00 H new ATOM 648 N SER A 39 21.483 -6.793 -12.772 1.00 0.00 N ATOM 649 CA SER A 39 22.420 -6.299 -13.774 1.00 0.00 C ATOM 650 C SER A 39 21.890 -5.029 -14.434 1.00 0.00 C ATOM 651 O SER A 39 20.717 -4.683 -14.290 1.00 0.00 O ATOM 652 CB SER A 39 22.676 -7.370 -14.836 1.00 0.00 C ATOM 653 OG SER A 39 24.029 -7.354 -15.260 1.00 0.00 O ATOM 0 H SER A 39 21.064 -7.696 -12.995 1.00 0.00 H new ATOM 0 HA SER A 39 23.359 -6.063 -13.273 1.00 0.00 H new ATOM 0 HB2 SER A 39 22.429 -8.352 -14.433 1.00 0.00 H new ATOM 0 HB3 SER A 39 22.021 -7.202 -15.691 1.00 0.00 H new ATOM 0 HG SER A 39 24.168 -8.048 -15.937 1.00 0.00 H new ATOM 659 N THR A 40 22.763 -4.338 -15.160 1.00 0.00 N ATOM 660 CA THR A 40 22.385 -3.107 -15.842 1.00 0.00 C ATOM 661 C THR A 40 21.565 -3.400 -17.093 1.00 0.00 C ATOM 662 O THR A 40 22.109 -3.511 -18.192 1.00 0.00 O ATOM 663 CB THR A 40 23.623 -2.280 -16.236 1.00 0.00 C ATOM 664 OG1 THR A 40 24.333 -1.870 -15.061 1.00 0.00 O ATOM 665 CG2 THR A 40 23.222 -1.055 -17.044 1.00 0.00 C ATOM 0 H THR A 40 23.737 -4.610 -15.291 1.00 0.00 H new ATOM 0 HA THR A 40 21.780 -2.531 -15.141 1.00 0.00 H new ATOM 0 HB THR A 40 24.269 -2.906 -16.851 1.00 0.00 H new ATOM 0 HG1 THR A 40 25.120 -1.346 -15.320 1.00 0.00 H new ATOM 0 HG21 THR A 40 24.113 -0.487 -17.310 1.00 0.00 H new ATOM 0 HG22 THR A 40 22.708 -1.370 -17.952 1.00 0.00 H new ATOM 0 HG23 THR A 40 22.557 -0.429 -16.449 1.00 0.00 H new ATOM 673 N LEU A 41 20.254 -3.524 -16.920 1.00 0.00 N ATOM 674 CA LEU A 41 19.358 -3.804 -18.036 1.00 0.00 C ATOM 675 C LEU A 41 18.005 -3.129 -17.831 1.00 0.00 C ATOM 676 O LEU A 41 17.518 -3.018 -16.706 1.00 0.00 O ATOM 677 CB LEU A 41 19.168 -5.313 -18.198 1.00 0.00 C ATOM 678 CG LEU A 41 20.055 -5.993 -19.242 1.00 0.00 C ATOM 679 CD1 LEU A 41 21.179 -6.763 -18.568 1.00 0.00 C ATOM 680 CD2 LEU A 41 19.227 -6.916 -20.124 1.00 0.00 C ATOM 0 H LEU A 41 19.788 -3.435 -16.017 1.00 0.00 H new ATOM 0 HA LEU A 41 19.811 -3.402 -18.942 1.00 0.00 H new ATOM 0 HB2 LEU A 41 19.348 -5.787 -17.233 1.00 0.00 H new ATOM 0 HB3 LEU A 41 18.126 -5.502 -18.457 1.00 0.00 H new ATOM 0 HG LEU A 41 20.499 -5.222 -19.872 1.00 0.00 H new ATOM 0 HD11 LEU A 41 21.799 -7.240 -19.327 1.00 0.00 H new ATOM 0 HD12 LEU A 41 21.788 -6.077 -17.980 1.00 0.00 H new ATOM 0 HD13 LEU A 41 20.756 -7.525 -17.913 1.00 0.00 H new ATOM 0 HD21 LEU A 41 19.874 -7.392 -20.861 1.00 0.00 H new ATOM 0 HD22 LEU A 41 18.755 -7.681 -19.508 1.00 0.00 H new ATOM 0 HD23 LEU A 41 18.458 -6.337 -20.636 1.00 0.00 H new ATOM 692 N THR A 42 17.401 -2.680 -18.927 1.00 0.00 N ATOM 693 CA THR A 42 16.104 -2.017 -18.869 1.00 0.00 C ATOM 694 C THR A 42 15.055 -2.792 -19.658 1.00 0.00 C ATOM 695 O THR A 42 15.384 -3.539 -20.580 1.00 0.00 O ATOM 696 CB THR A 42 16.183 -0.579 -19.415 1.00 0.00 C ATOM 697 OG1 THR A 42 14.880 0.013 -19.425 1.00 0.00 O ATOM 698 CG2 THR A 42 16.763 -0.565 -20.821 1.00 0.00 C ATOM 0 H THR A 42 17.790 -2.764 -19.866 1.00 0.00 H new ATOM 0 HA THR A 42 15.813 -1.983 -17.819 1.00 0.00 H new ATOM 0 HB THR A 42 16.839 -0.002 -18.763 1.00 0.00 H new ATOM 0 HG1 THR A 42 14.939 0.928 -19.772 1.00 0.00 H new ATOM 0 HG21 THR A 42 16.809 0.461 -21.185 1.00 0.00 H new ATOM 0 HG22 THR A 42 17.767 -0.990 -20.805 1.00 0.00 H new ATOM 0 HG23 THR A 42 16.129 -1.157 -21.482 1.00 0.00 H new ATOM 706 N ILE A 43 13.791 -2.608 -19.291 1.00 0.00 N ATOM 707 CA ILE A 43 12.694 -3.288 -19.967 1.00 0.00 C ATOM 708 C ILE A 43 12.774 -3.095 -21.478 1.00 0.00 C ATOM 709 O ILE A 43 12.461 -4.003 -22.247 1.00 0.00 O ATOM 710 CB ILE A 43 11.326 -2.785 -19.468 1.00 0.00 C ATOM 711 CG1 ILE A 43 11.029 -3.345 -18.076 1.00 0.00 C ATOM 712 CG2 ILE A 43 10.229 -3.174 -20.447 1.00 0.00 C ATOM 713 CD1 ILE A 43 11.690 -2.568 -16.959 1.00 0.00 C ATOM 0 H ILE A 43 13.502 -1.994 -18.530 1.00 0.00 H new ATOM 0 HA ILE A 43 12.789 -4.348 -19.733 1.00 0.00 H new ATOM 0 HB ILE A 43 11.358 -1.697 -19.402 1.00 0.00 H new ATOM 0 HG12 ILE A 43 9.951 -3.348 -17.917 1.00 0.00 H new ATOM 0 HG13 ILE A 43 11.361 -4.382 -18.032 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.269 -2.811 -20.080 1.00 0.00 H new ATOM 0 HG22 ILE A 43 10.436 -2.730 -21.421 1.00 0.00 H new ATOM 0 HG23 ILE A 43 10.195 -4.259 -20.542 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.436 -3.021 -16.001 1.00 0.00 H new ATOM 0 HD12 ILE A 43 12.772 -2.586 -17.094 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.339 -1.536 -16.977 1.00 0.00 H new ATOM 725 N GLU A 44 13.197 -1.905 -21.895 1.00 0.00 N ATOM 726 CA GLU A 44 13.319 -1.594 -23.314 1.00 0.00 C ATOM 727 C GLU A 44 14.316 -2.529 -23.992 1.00 0.00 C ATOM 728 O GLU A 44 14.171 -2.859 -25.169 1.00 0.00 O ATOM 729 CB GLU A 44 13.757 -0.140 -23.504 1.00 0.00 C ATOM 730 CG GLU A 44 12.596 0.834 -23.627 1.00 0.00 C ATOM 731 CD GLU A 44 12.096 0.966 -25.053 1.00 0.00 C ATOM 732 OE1 GLU A 44 12.841 1.508 -25.896 1.00 0.00 O ATOM 733 OE2 GLU A 44 10.959 0.528 -25.325 1.00 0.00 O ATOM 0 H GLU A 44 13.460 -1.142 -21.271 1.00 0.00 H new ATOM 0 HA GLU A 44 12.342 -1.735 -23.776 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.381 0.156 -22.661 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.376 -0.070 -24.399 1.00 0.00 H new ATOM 0 HG2 GLU A 44 11.778 0.501 -22.988 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.907 1.813 -23.263 1.00 0.00 H new ATOM 740 N GLU A 45 15.329 -2.950 -23.241 1.00 0.00 N ATOM 741 CA GLU A 45 16.351 -3.845 -23.771 1.00 0.00 C ATOM 742 C GLU A 45 15.955 -5.305 -23.565 1.00 0.00 C ATOM 743 O GLU A 45 16.092 -6.130 -24.468 1.00 0.00 O ATOM 744 CB GLU A 45 17.698 -3.572 -23.099 1.00 0.00 C ATOM 745 CG GLU A 45 18.768 -4.594 -23.442 1.00 0.00 C ATOM 746 CD GLU A 45 19.709 -4.112 -24.529 1.00 0.00 C ATOM 747 OE1 GLU A 45 19.218 -3.580 -25.547 1.00 0.00 O ATOM 748 OE2 GLU A 45 20.937 -4.267 -24.362 1.00 0.00 O ATOM 0 H GLU A 45 15.464 -2.686 -22.265 1.00 0.00 H new ATOM 0 HA GLU A 45 16.442 -3.658 -24.841 1.00 0.00 H new ATOM 0 HB2 GLU A 45 18.046 -2.582 -23.392 1.00 0.00 H new ATOM 0 HB3 GLU A 45 17.558 -3.554 -22.018 1.00 0.00 H new ATOM 0 HG2 GLU A 45 19.343 -4.827 -22.546 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.291 -5.520 -23.764 1.00 0.00 H new ATOM 755 N PHE A 46 15.464 -5.615 -22.370 1.00 0.00 N ATOM 756 CA PHE A 46 15.049 -6.975 -22.043 1.00 0.00 C ATOM 757 C PHE A 46 13.927 -7.438 -22.968 1.00 0.00 C ATOM 758 O PHE A 46 13.666 -8.635 -23.095 1.00 0.00 O ATOM 759 CB PHE A 46 14.590 -7.055 -20.586 1.00 0.00 C ATOM 760 CG PHE A 46 13.214 -7.633 -20.422 1.00 0.00 C ATOM 761 CD1 PHE A 46 12.090 -6.858 -20.659 1.00 0.00 C ATOM 762 CD2 PHE A 46 13.043 -8.951 -20.030 1.00 0.00 C ATOM 763 CE1 PHE A 46 10.821 -7.387 -20.509 1.00 0.00 C ATOM 764 CE2 PHE A 46 11.778 -9.485 -19.880 1.00 0.00 C ATOM 765 CZ PHE A 46 10.666 -8.702 -20.118 1.00 0.00 C ATOM 0 H PHE A 46 15.344 -4.943 -21.612 1.00 0.00 H new ATOM 0 HA PHE A 46 15.906 -7.633 -22.183 1.00 0.00 H new ATOM 0 HB2 PHE A 46 15.299 -7.661 -20.023 1.00 0.00 H new ATOM 0 HB3 PHE A 46 14.610 -6.055 -20.152 1.00 0.00 H new ATOM 0 HD1 PHE A 46 12.206 -5.829 -20.964 1.00 0.00 H new ATOM 0 HD2 PHE A 46 13.909 -9.568 -19.840 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.953 -6.773 -20.697 1.00 0.00 H new ATOM 0 HE2 PHE A 46 11.659 -10.515 -19.577 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.676 -9.118 -19.998 1.00 0.00 H new ATOM 775 N HIS A 47 13.266 -6.481 -23.612 1.00 0.00 N ATOM 776 CA HIS A 47 12.171 -6.790 -24.525 1.00 0.00 C ATOM 777 C HIS A 47 12.691 -7.004 -25.943 1.00 0.00 C ATOM 778 O HIS A 47 12.028 -7.630 -26.770 1.00 0.00 O ATOM 779 CB HIS A 47 11.136 -5.665 -24.513 1.00 0.00 C ATOM 780 CG HIS A 47 10.238 -5.665 -25.711 1.00 0.00 C ATOM 781 ND1 HIS A 47 10.134 -4.790 -26.739 1.00 0.00 N flip ATOM 782 CD2 HIS A 47 9.304 -6.650 -25.953 1.00 0.00 C flip ATOM 783 CE1 HIS A 47 9.150 -5.258 -27.574 1.00 0.00 C flip ATOM 784 NE2 HIS A 47 8.665 -6.382 -27.078 1.00 0.00 N flip ATOM 0 H HIS A 47 13.469 -5.486 -23.519 1.00 0.00 H new ATOM 0 HA HIS A 47 11.698 -7.712 -24.187 1.00 0.00 H new ATOM 0 HB2 HIS A 47 10.527 -5.752 -23.613 1.00 0.00 H new ATOM 0 HB3 HIS A 47 11.653 -4.707 -24.457 1.00 0.00 H new ATOM 0 HD1 HIS A 47 10.684 -3.941 -26.869 1.00 0.00 H new ATOM 0 HD2 HIS A 47 9.123 -7.507 -25.321 1.00 0.00 H new ATOM 0 HE1 HIS A 47 8.825 -4.784 -28.488 1.00 0.00 H new ATOM 792 N SER A 48 13.881 -6.478 -26.218 1.00 0.00 N ATOM 793 CA SER A 48 14.488 -6.608 -27.537 1.00 0.00 C ATOM 794 C SER A 48 15.130 -7.981 -27.708 1.00 0.00 C ATOM 795 O SER A 48 15.304 -8.464 -28.827 1.00 0.00 O ATOM 796 CB SER A 48 15.535 -5.513 -27.750 1.00 0.00 C ATOM 797 OG SER A 48 16.533 -5.932 -28.664 1.00 0.00 O ATOM 0 H SER A 48 14.443 -5.958 -25.544 1.00 0.00 H new ATOM 0 HA SER A 48 13.701 -6.499 -28.283 1.00 0.00 H new ATOM 0 HB2 SER A 48 15.051 -4.611 -28.124 1.00 0.00 H new ATOM 0 HB3 SER A 48 15.996 -5.256 -26.796 1.00 0.00 H new ATOM 0 HG SER A 48 17.189 -5.214 -28.784 1.00 0.00 H new ATOM 803 N LYS A 49 15.481 -8.606 -26.589 1.00 0.00 N ATOM 804 CA LYS A 49 16.103 -9.924 -26.611 1.00 0.00 C ATOM 805 C LYS A 49 15.061 -11.021 -26.411 1.00 0.00 C ATOM 806 O LYS A 49 15.211 -12.133 -26.918 1.00 0.00 O ATOM 807 CB LYS A 49 17.178 -10.023 -25.526 1.00 0.00 C ATOM 808 CG LYS A 49 18.586 -9.784 -26.042 1.00 0.00 C ATOM 809 CD LYS A 49 18.915 -8.301 -26.099 1.00 0.00 C ATOM 810 CE LYS A 49 19.560 -7.823 -24.807 1.00 0.00 C ATOM 811 NZ LYS A 49 20.967 -8.294 -24.683 1.00 0.00 N ATOM 0 H LYS A 49 15.345 -8.220 -25.655 1.00 0.00 H new ATOM 0 HA LYS A 49 16.568 -10.062 -27.587 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.959 -9.298 -24.742 1.00 0.00 H new ATOM 0 HB3 LYS A 49 17.131 -11.011 -25.068 1.00 0.00 H new ATOM 0 HG2 LYS A 49 19.302 -10.292 -25.396 1.00 0.00 H new ATOM 0 HG3 LYS A 49 18.689 -10.219 -27.036 1.00 0.00 H new ATOM 0 HD2 LYS A 49 19.587 -8.108 -26.935 1.00 0.00 H new ATOM 0 HD3 LYS A 49 18.004 -7.732 -26.284 1.00 0.00 H new ATOM 0 HE2 LYS A 49 19.537 -6.734 -24.771 1.00 0.00 H new ATOM 0 HE3 LYS A 49 18.980 -8.183 -23.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 21.445 -7.765 -23.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 20.975 -9.309 -24.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 21.466 -8.138 -25.582 1.00 0.00 H new ATOM 825 N LEU A 50 14.006 -10.700 -25.670 1.00 0.00 N ATOM 826 CA LEU A 50 12.938 -11.657 -25.404 1.00 0.00 C ATOM 827 C LEU A 50 11.998 -11.770 -26.600 1.00 0.00 C ATOM 828 O LEU A 50 11.632 -12.870 -27.011 1.00 0.00 O ATOM 829 CB LEU A 50 12.152 -11.241 -24.160 1.00 0.00 C ATOM 830 CG LEU A 50 11.599 -12.381 -23.303 1.00 0.00 C ATOM 831 CD1 LEU A 50 11.426 -11.929 -21.861 1.00 0.00 C ATOM 832 CD2 LEU A 50 10.279 -12.882 -23.870 1.00 0.00 C ATOM 0 H LEU A 50 13.867 -9.784 -25.243 1.00 0.00 H new ATOM 0 HA LEU A 50 13.392 -12.632 -25.229 1.00 0.00 H new ATOM 0 HB2 LEU A 50 12.799 -10.624 -23.536 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.319 -10.612 -24.474 1.00 0.00 H new ATOM 0 HG LEU A 50 12.314 -13.204 -23.320 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.032 -12.753 -21.266 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.391 -11.620 -21.458 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.732 -11.090 -21.824 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.900 -13.693 -23.248 1.00 0.00 H new ATOM 0 HD22 LEU A 50 9.556 -12.067 -23.883 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.434 -13.246 -24.886 1.00 0.00 H new ATOM 844 N GLN A 51 11.613 -10.624 -27.153 1.00 0.00 N ATOM 845 CA GLN A 51 10.716 -10.596 -28.303 1.00 0.00 C ATOM 846 C GLN A 51 11.274 -11.433 -29.449 1.00 0.00 C ATOM 847 O GLN A 51 10.520 -12.045 -30.206 1.00 0.00 O ATOM 848 CB GLN A 51 10.496 -9.155 -28.768 1.00 0.00 C ATOM 849 CG GLN A 51 11.698 -8.556 -29.481 1.00 0.00 C ATOM 850 CD GLN A 51 11.479 -7.109 -29.878 1.00 0.00 C ATOM 851 OE1 GLN A 51 11.550 -6.207 -29.043 1.00 0.00 O ATOM 852 NE2 GLN A 51 11.211 -6.880 -31.158 1.00 0.00 N ATOM 0 H GLN A 51 11.907 -9.704 -26.824 1.00 0.00 H new ATOM 0 HA GLN A 51 9.760 -11.023 -27.998 1.00 0.00 H new ATOM 0 HB2 GLN A 51 9.635 -9.125 -29.436 1.00 0.00 H new ATOM 0 HB3 GLN A 51 10.251 -8.537 -27.904 1.00 0.00 H new ATOM 0 HG2 GLN A 51 12.571 -8.623 -28.832 1.00 0.00 H new ATOM 0 HG3 GLN A 51 11.918 -9.144 -30.372 1.00 0.00 H new ATOM 0 HE21 GLN A 51 11.162 -7.658 -31.816 1.00 0.00 H new ATOM 0 HE22 GLN A 51 11.054 -5.926 -31.484 1.00 0.00 H new ATOM 861 N GLU A 52 12.597 -11.456 -29.570 1.00 0.00 N ATOM 862 CA GLU A 52 13.254 -12.218 -30.626 1.00 0.00 C ATOM 863 C GLU A 52 13.625 -13.615 -30.137 1.00 0.00 C ATOM 864 O GLU A 52 13.960 -14.493 -30.932 1.00 0.00 O ATOM 865 CB GLU A 52 14.508 -11.486 -31.110 1.00 0.00 C ATOM 866 CG GLU A 52 15.641 -11.486 -30.098 1.00 0.00 C ATOM 867 CD GLU A 52 16.918 -12.088 -30.653 1.00 0.00 C ATOM 868 OE1 GLU A 52 17.453 -11.539 -31.639 1.00 0.00 O ATOM 869 OE2 GLU A 52 17.381 -13.108 -30.102 1.00 0.00 O ATOM 0 H GLU A 52 13.235 -10.956 -28.951 1.00 0.00 H new ATOM 0 HA GLU A 52 12.556 -12.315 -31.457 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.856 -11.950 -32.033 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.247 -10.455 -31.351 1.00 0.00 H new ATOM 0 HG2 GLU A 52 15.836 -10.463 -29.776 1.00 0.00 H new ATOM 0 HG3 GLU A 52 15.334 -12.045 -29.214 1.00 0.00 H new ATOM 876 N ALA A 53 13.563 -13.813 -28.825 1.00 0.00 N ATOM 877 CA ALA A 53 13.891 -15.102 -28.230 1.00 0.00 C ATOM 878 C ALA A 53 12.675 -16.022 -28.210 1.00 0.00 C ATOM 879 O ALA A 53 12.760 -17.190 -28.592 1.00 0.00 O ATOM 880 CB ALA A 53 14.433 -14.912 -26.821 1.00 0.00 C ATOM 0 H ALA A 53 13.288 -13.096 -28.153 1.00 0.00 H new ATOM 0 HA ALA A 53 14.661 -15.571 -28.843 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.673 -15.884 -26.390 1.00 0.00 H new ATOM 0 HB2 ALA A 53 15.333 -14.298 -26.857 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.681 -14.418 -26.206 1.00 0.00 H new ATOM 886 N THR A 54 11.542 -15.489 -27.763 1.00 0.00 N ATOM 887 CA THR A 54 10.309 -16.263 -27.692 1.00 0.00 C ATOM 888 C THR A 54 9.780 -16.584 -29.086 1.00 0.00 C ATOM 889 O THR A 54 10.367 -16.183 -30.090 1.00 0.00 O ATOM 890 CB THR A 54 9.219 -15.513 -26.903 1.00 0.00 C ATOM 891 OG1 THR A 54 9.157 -14.148 -27.330 1.00 0.00 O ATOM 892 CG2 THR A 54 9.499 -15.570 -25.408 1.00 0.00 C ATOM 0 H THR A 54 11.453 -14.524 -27.445 1.00 0.00 H new ATOM 0 HA THR A 54 10.549 -17.192 -27.174 1.00 0.00 H new ATOM 0 HB THR A 54 8.262 -15.997 -27.097 1.00 0.00 H new ATOM 0 HG1 THR A 54 9.984 -13.688 -27.075 1.00 0.00 H new ATOM 0 HG21 THR A 54 8.717 -15.034 -24.871 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.517 -16.610 -25.081 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.464 -15.107 -25.201 1.00 0.00 H new ATOM 900 N ASN A 55 8.668 -17.309 -29.139 1.00 0.00 N ATOM 901 CA ASN A 55 8.060 -17.683 -30.411 1.00 0.00 C ATOM 902 C ASN A 55 7.803 -16.452 -31.274 1.00 0.00 C ATOM 903 O ASN A 55 8.039 -15.321 -30.848 1.00 0.00 O ATOM 904 CB ASN A 55 6.748 -18.435 -30.171 1.00 0.00 C ATOM 905 CG ASN A 55 6.904 -19.565 -29.172 1.00 0.00 C ATOM 906 OD1 ASN A 55 6.282 -19.558 -28.109 1.00 0.00 O ATOM 907 ND2 ASN A 55 7.737 -20.542 -29.509 1.00 0.00 N ATOM 0 H ASN A 55 8.170 -17.649 -28.317 1.00 0.00 H new ATOM 0 HA ASN A 55 8.754 -18.336 -30.939 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.993 -17.737 -29.810 1.00 0.00 H new ATOM 0 HB3 ASN A 55 6.385 -18.837 -31.117 1.00 0.00 H new ATOM 0 HD21 ASN A 55 7.883 -21.329 -28.876 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.231 -20.506 -30.401 1.00 0.00 H new ATOM 914 N PHE A 56 7.316 -16.680 -32.490 1.00 0.00 N ATOM 915 CA PHE A 56 7.027 -15.589 -33.414 1.00 0.00 C ATOM 916 C PHE A 56 6.134 -14.541 -32.757 1.00 0.00 C ATOM 917 O PHE A 56 6.500 -13.374 -32.620 1.00 0.00 O ATOM 918 CB PHE A 56 6.354 -16.129 -34.678 1.00 0.00 C ATOM 919 CG PHE A 56 7.217 -16.033 -35.904 1.00 0.00 C ATOM 920 CD1 PHE A 56 8.108 -17.045 -36.220 1.00 0.00 C ATOM 921 CD2 PHE A 56 7.135 -14.931 -36.740 1.00 0.00 C ATOM 922 CE1 PHE A 56 8.904 -16.959 -37.347 1.00 0.00 C ATOM 923 CE2 PHE A 56 7.927 -14.840 -37.869 1.00 0.00 C ATOM 924 CZ PHE A 56 8.812 -15.855 -38.173 1.00 0.00 C ATOM 0 H PHE A 56 7.113 -17.610 -32.858 1.00 0.00 H new ATOM 0 HA PHE A 56 7.971 -15.117 -33.686 1.00 0.00 H new ATOM 0 HB2 PHE A 56 6.080 -17.172 -34.517 1.00 0.00 H new ATOM 0 HB3 PHE A 56 5.429 -15.579 -34.851 1.00 0.00 H new ATOM 0 HD1 PHE A 56 8.182 -17.911 -35.579 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.444 -14.134 -36.507 1.00 0.00 H new ATOM 0 HE1 PHE A 56 9.597 -17.754 -37.582 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.854 -13.976 -38.513 1.00 0.00 H new ATOM 0 HZ PHE A 56 9.431 -15.786 -39.055 1.00 0.00 H new ATOM 934 N PRO A 57 4.932 -14.967 -32.339 1.00 0.00 N ATOM 935 CA PRO A 57 3.961 -14.082 -31.689 1.00 0.00 C ATOM 936 C PRO A 57 4.406 -13.660 -30.293 1.00 0.00 C ATOM 937 O PRO A 57 4.927 -14.469 -29.525 1.00 0.00 O ATOM 938 CB PRO A 57 2.696 -14.940 -31.611 1.00 0.00 C ATOM 939 CG PRO A 57 3.190 -16.345 -31.617 1.00 0.00 C ATOM 940 CD PRO A 57 4.429 -16.345 -32.469 1.00 0.00 C ATOM 0 HA PRO A 57 3.827 -13.150 -32.238 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.127 -14.724 -30.707 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.035 -14.749 -32.457 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.412 -16.685 -30.605 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.438 -17.021 -32.023 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.159 -17.074 -32.117 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.204 -16.594 -33.506 1.00 0.00 H new ATOM 948 N LEU A 58 4.196 -12.388 -29.970 1.00 0.00 N ATOM 949 CA LEU A 58 4.575 -11.858 -28.664 1.00 0.00 C ATOM 950 C LEU A 58 3.497 -12.149 -27.625 1.00 0.00 C ATOM 951 O LEU A 58 2.568 -12.916 -27.877 1.00 0.00 O ATOM 952 CB LEU A 58 4.818 -10.351 -28.755 1.00 0.00 C ATOM 953 CG LEU A 58 5.990 -9.809 -27.935 1.00 0.00 C ATOM 954 CD1 LEU A 58 7.278 -9.866 -28.743 1.00 0.00 C ATOM 955 CD2 LEU A 58 5.708 -8.386 -27.477 1.00 0.00 C ATOM 0 H LEU A 58 3.766 -11.705 -30.594 1.00 0.00 H new ATOM 0 HA LEU A 58 5.496 -12.350 -28.352 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.982 -10.092 -29.801 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.910 -9.837 -28.438 1.00 0.00 H new ATOM 0 HG LEU A 58 6.111 -10.436 -27.052 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.101 -9.476 -28.144 1.00 0.00 H new ATOM 0 HD12 LEU A 58 7.488 -10.899 -29.020 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.169 -9.263 -29.645 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.553 -8.017 -26.895 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.560 -7.746 -28.347 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.809 -8.374 -26.860 1.00 0.00 H new ATOM 967 N ARG A 59 3.627 -11.530 -26.456 1.00 0.00 N ATOM 968 CA ARG A 59 2.664 -11.722 -25.378 1.00 0.00 C ATOM 969 C ARG A 59 1.999 -10.401 -25.002 1.00 0.00 C ATOM 970 O ARG A 59 2.510 -9.317 -25.287 1.00 0.00 O ATOM 971 CB ARG A 59 3.351 -12.326 -24.153 1.00 0.00 C ATOM 972 CG ARG A 59 4.725 -11.738 -23.872 1.00 0.00 C ATOM 973 CD ARG A 59 4.881 -11.363 -22.407 1.00 0.00 C ATOM 974 NE ARG A 59 5.207 -12.521 -21.578 1.00 0.00 N ATOM 975 CZ ARG A 59 6.402 -13.101 -21.561 1.00 0.00 C ATOM 976 NH1 ARG A 59 7.380 -12.633 -22.325 1.00 0.00 N ATOM 977 NH2 ARG A 59 6.621 -14.150 -20.780 1.00 0.00 N ATOM 0 H ARG A 59 4.390 -10.891 -26.231 1.00 0.00 H new ATOM 0 HA ARG A 59 1.895 -12.409 -25.730 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.716 -12.176 -23.280 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.448 -13.402 -24.295 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.494 -12.459 -24.148 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.878 -10.855 -24.493 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.665 -10.613 -22.306 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.957 -10.909 -22.049 1.00 0.00 H new ATOM 0 HE ARG A 59 4.476 -12.906 -20.979 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.215 -11.826 -22.927 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.297 -13.080 -22.310 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.871 -14.513 -20.191 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.539 -14.594 -20.768 1.00 0.00 H new ATOM 991 N PRO A 60 0.833 -10.491 -24.346 1.00 0.00 N ATOM 992 CA PRO A 60 0.073 -9.313 -23.917 1.00 0.00 C ATOM 993 C PRO A 60 0.763 -8.559 -22.785 1.00 0.00 C ATOM 994 O PRO A 60 1.151 -9.151 -21.778 1.00 0.00 O ATOM 995 CB PRO A 60 -1.254 -9.903 -23.435 1.00 0.00 C ATOM 996 CG PRO A 60 -0.926 -11.302 -23.041 1.00 0.00 C ATOM 997 CD PRO A 60 0.166 -11.749 -23.973 1.00 0.00 C ATOM 0 HA PRO A 60 -0.036 -8.584 -24.720 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -1.656 -9.339 -22.593 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -2.007 -9.880 -24.223 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.596 -11.348 -22.003 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.801 -11.947 -23.127 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.854 -12.439 -23.484 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.236 -12.264 -24.845 1.00 0.00 H new ATOM 1005 N PHE A 61 0.913 -7.250 -22.957 1.00 0.00 N ATOM 1006 CA PHE A 61 1.557 -6.415 -21.950 1.00 0.00 C ATOM 1007 C PHE A 61 2.916 -6.986 -21.558 1.00 0.00 C ATOM 1008 O PHE A 61 3.051 -7.648 -20.529 1.00 0.00 O ATOM 1009 CB PHE A 61 0.666 -6.294 -20.712 1.00 0.00 C ATOM 1010 CG PHE A 61 -0.740 -5.869 -21.024 1.00 0.00 C ATOM 1011 CD1 PHE A 61 -1.036 -4.539 -21.275 1.00 0.00 C ATOM 1012 CD2 PHE A 61 -1.766 -6.799 -21.066 1.00 0.00 C ATOM 1013 CE1 PHE A 61 -2.329 -4.144 -21.563 1.00 0.00 C ATOM 1014 CE2 PHE A 61 -3.061 -6.411 -21.354 1.00 0.00 C ATOM 1015 CZ PHE A 61 -3.343 -5.081 -21.602 1.00 0.00 C ATOM 0 H PHE A 61 0.597 -6.744 -23.785 1.00 0.00 H new ATOM 0 HA PHE A 61 1.709 -5.424 -22.379 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.641 -7.254 -20.197 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.110 -5.575 -20.024 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.247 -3.802 -21.245 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.551 -7.839 -20.871 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.546 -3.104 -21.757 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.851 -7.146 -21.385 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.354 -4.775 -21.826 1.00 0.00 H new ATOM 1025 N VAL A 62 3.922 -6.726 -22.388 1.00 0.00 N ATOM 1026 CA VAL A 62 5.272 -7.213 -22.129 1.00 0.00 C ATOM 1027 C VAL A 62 6.113 -6.154 -21.426 1.00 0.00 C ATOM 1028 O VAL A 62 6.657 -6.394 -20.348 1.00 0.00 O ATOM 1029 CB VAL A 62 5.977 -7.631 -23.433 1.00 0.00 C ATOM 1030 CG1 VAL A 62 7.165 -8.532 -23.133 1.00 0.00 C ATOM 1031 CG2 VAL A 62 4.997 -8.321 -24.371 1.00 0.00 C ATOM 0 H VAL A 62 3.827 -6.181 -23.245 1.00 0.00 H new ATOM 0 HA VAL A 62 5.176 -8.084 -21.481 1.00 0.00 H new ATOM 0 HB VAL A 62 6.348 -6.734 -23.928 1.00 0.00 H new ATOM 0 HG11 VAL A 62 7.650 -8.817 -24.066 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.876 -7.998 -22.502 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.821 -9.427 -22.615 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.512 -8.610 -25.287 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.594 -9.210 -23.886 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.182 -7.638 -24.612 1.00 0.00 H new ATOM 1041 N ILE A 63 6.216 -4.982 -22.044 1.00 0.00 N ATOM 1042 CA ILE A 63 6.990 -3.885 -21.476 1.00 0.00 C ATOM 1043 C ILE A 63 6.448 -3.479 -20.110 1.00 0.00 C ATOM 1044 O ILE A 63 7.179 -3.401 -19.122 1.00 0.00 O ATOM 1045 CB ILE A 63 6.987 -2.655 -22.403 1.00 0.00 C ATOM 1046 CG1 ILE A 63 7.640 -2.998 -23.744 1.00 0.00 C ATOM 1047 CG2 ILE A 63 7.708 -1.491 -21.740 1.00 0.00 C ATOM 1048 CD1 ILE A 63 9.084 -3.431 -23.620 1.00 0.00 C ATOM 0 H ILE A 63 5.773 -4.768 -22.938 1.00 0.00 H new ATOM 0 HA ILE A 63 8.013 -4.245 -21.366 1.00 0.00 H new ATOM 0 HB ILE A 63 5.954 -2.360 -22.588 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.070 -3.794 -24.223 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.585 -2.128 -24.399 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.698 -0.629 -22.407 1.00 0.00 H new ATOM 0 HG22 ILE A 63 7.204 -1.234 -20.808 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.739 -1.774 -21.529 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.482 -3.658 -24.609 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.667 -2.628 -23.170 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.145 -4.320 -22.992 1.00 0.00 H new ATOM 1060 N PRO A 64 5.134 -3.215 -20.049 1.00 0.00 N ATOM 1061 CA PRO A 64 4.463 -2.815 -18.808 1.00 0.00 C ATOM 1062 C PRO A 64 4.380 -3.956 -17.800 1.00 0.00 C ATOM 1063 O PRO A 64 3.977 -3.757 -16.654 1.00 0.00 O ATOM 1064 CB PRO A 64 3.063 -2.412 -19.276 1.00 0.00 C ATOM 1065 CG PRO A 64 2.850 -3.176 -20.538 1.00 0.00 C ATOM 1066 CD PRO A 64 4.202 -3.288 -21.187 1.00 0.00 C ATOM 0 HA PRO A 64 5.000 -2.019 -18.292 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.309 -2.662 -18.530 1.00 0.00 H new ATOM 0 HB3 PRO A 64 2.997 -1.338 -19.448 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.433 -4.162 -20.332 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.145 -2.662 -21.191 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.309 -4.225 -21.734 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.374 -2.481 -21.899 1.00 0.00 H new ATOM 1074 N PHE A 65 4.765 -5.152 -18.234 1.00 0.00 N ATOM 1075 CA PHE A 65 4.734 -6.326 -17.369 1.00 0.00 C ATOM 1076 C PHE A 65 5.806 -6.233 -16.288 1.00 0.00 C ATOM 1077 O PHE A 65 5.511 -6.322 -15.095 1.00 0.00 O ATOM 1078 CB PHE A 65 4.933 -7.599 -18.194 1.00 0.00 C ATOM 1079 CG PHE A 65 3.893 -8.651 -17.934 1.00 0.00 C ATOM 1080 CD1 PHE A 65 2.559 -8.305 -17.794 1.00 0.00 C ATOM 1081 CD2 PHE A 65 4.250 -9.986 -17.830 1.00 0.00 C ATOM 1082 CE1 PHE A 65 1.600 -9.271 -17.554 1.00 0.00 C ATOM 1083 CE2 PHE A 65 3.295 -10.956 -17.590 1.00 0.00 C ATOM 1084 CZ PHE A 65 1.968 -10.598 -17.453 1.00 0.00 C ATOM 0 H PHE A 65 5.102 -5.334 -19.179 1.00 0.00 H new ATOM 0 HA PHE A 65 3.758 -6.365 -16.885 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.921 -7.342 -19.253 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.918 -8.012 -17.978 1.00 0.00 H new ATOM 0 HD1 PHE A 65 2.265 -7.269 -17.873 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.286 -10.272 -17.938 1.00 0.00 H new ATOM 0 HE1 PHE A 65 0.563 -8.988 -17.446 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.586 -11.993 -17.510 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.220 -11.354 -17.267 1.00 0.00 H new ATOM 1094 N LEU A 66 7.052 -6.054 -16.713 1.00 0.00 N ATOM 1095 CA LEU A 66 8.170 -5.949 -15.782 1.00 0.00 C ATOM 1096 C LEU A 66 8.429 -4.495 -15.403 1.00 0.00 C ATOM 1097 O LEU A 66 8.940 -4.205 -14.320 1.00 0.00 O ATOM 1098 CB LEU A 66 9.431 -6.560 -16.398 1.00 0.00 C ATOM 1099 CG LEU A 66 9.699 -8.027 -16.063 1.00 0.00 C ATOM 1100 CD1 LEU A 66 10.807 -8.582 -16.944 1.00 0.00 C ATOM 1101 CD2 LEU A 66 10.056 -8.182 -14.592 1.00 0.00 C ATOM 0 H LEU A 66 7.313 -5.979 -17.696 1.00 0.00 H new ATOM 0 HA LEU A 66 7.911 -6.500 -14.878 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.366 -6.462 -17.482 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.290 -5.972 -16.076 1.00 0.00 H new ATOM 0 HG LEU A 66 8.790 -8.596 -16.257 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.984 -9.627 -16.691 1.00 0.00 H new ATOM 0 HD12 LEU A 66 10.512 -8.507 -17.991 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.721 -8.010 -16.783 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.243 -9.233 -14.372 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.951 -7.600 -14.371 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.230 -7.824 -13.977 1.00 0.00 H new ATOM 1113 N LYS A 67 8.071 -3.582 -16.299 1.00 0.00 N ATOM 1114 CA LYS A 67 8.261 -2.157 -16.059 1.00 0.00 C ATOM 1115 C LYS A 67 7.748 -1.765 -14.676 1.00 0.00 C ATOM 1116 O LYS A 67 8.267 -0.841 -14.050 1.00 0.00 O ATOM 1117 CB LYS A 67 7.541 -1.337 -17.132 1.00 0.00 C ATOM 1118 CG LYS A 67 8.423 -0.975 -18.314 1.00 0.00 C ATOM 1119 CD LYS A 67 9.528 -0.012 -17.911 1.00 0.00 C ATOM 1120 CE LYS A 67 9.055 1.432 -17.962 1.00 0.00 C ATOM 1121 NZ LYS A 67 10.177 2.391 -17.761 1.00 0.00 N ATOM 0 H LYS A 67 7.647 -3.804 -17.200 1.00 0.00 H new ATOM 0 HA LYS A 67 9.329 -1.946 -16.105 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.680 -1.900 -17.491 1.00 0.00 H new ATOM 0 HB3 LYS A 67 7.158 -0.421 -16.682 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.863 -1.881 -18.732 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.815 -0.525 -19.099 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.869 -0.249 -16.903 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.383 -0.139 -18.575 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.580 1.625 -18.924 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.298 1.593 -17.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.813 3.364 -17.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.614 2.224 -16.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.888 2.255 -18.508 1.00 0.00 H new ATOM 1135 N ALA A 68 6.728 -2.475 -14.206 1.00 0.00 N ATOM 1136 CA ALA A 68 6.148 -2.204 -12.896 1.00 0.00 C ATOM 1137 C ALA A 68 6.522 -3.292 -11.895 1.00 0.00 C ATOM 1138 O ALA A 68 6.535 -3.058 -10.687 1.00 0.00 O ATOM 1139 CB ALA A 68 4.636 -2.080 -13.004 1.00 0.00 C ATOM 0 H ALA A 68 6.286 -3.242 -14.713 1.00 0.00 H new ATOM 0 HA ALA A 68 6.554 -1.259 -12.534 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.216 -1.878 -12.019 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.385 -1.263 -13.680 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.221 -3.011 -13.391 1.00 0.00 H new ATOM 1145 N ASN A 69 6.824 -4.481 -12.405 1.00 0.00 N ATOM 1146 CA ASN A 69 7.196 -5.606 -11.554 1.00 0.00 C ATOM 1147 C ASN A 69 8.700 -5.622 -11.301 1.00 0.00 C ATOM 1148 O ASN A 69 9.224 -6.537 -10.665 1.00 0.00 O ATOM 1149 CB ASN A 69 6.761 -6.924 -12.197 1.00 0.00 C ATOM 1150 CG ASN A 69 5.356 -7.327 -11.797 1.00 0.00 C ATOM 1151 OD1 ASN A 69 4.391 -7.056 -12.668 1.00 0.00 O flip ATOM 1152 ND2 ASN A 69 5.139 -7.876 -10.716 1.00 0.00 N flip ATOM 0 H ASN A 69 6.819 -4.691 -13.403 1.00 0.00 H new ATOM 0 HA ASN A 69 6.686 -5.491 -10.598 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.814 -6.831 -13.282 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.457 -7.712 -11.910 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.911 -8.066 -10.076 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.188 -8.141 -10.460 1.00 0.00 H new ATOM 1159 N LEU A 70 9.390 -4.603 -11.803 1.00 0.00 N ATOM 1160 CA LEU A 70 10.835 -4.499 -11.631 1.00 0.00 C ATOM 1161 C LEU A 70 11.218 -4.612 -10.159 1.00 0.00 C ATOM 1162 O LEU A 70 12.060 -5.422 -9.772 1.00 0.00 O ATOM 1163 CB LEU A 70 11.342 -3.173 -12.202 1.00 0.00 C ATOM 1164 CG LEU A 70 12.682 -3.227 -12.936 1.00 0.00 C ATOM 1165 CD1 LEU A 70 13.802 -3.600 -11.977 1.00 0.00 C ATOM 1166 CD2 LEU A 70 12.617 -4.214 -14.093 1.00 0.00 C ATOM 0 H LEU A 70 8.972 -3.838 -12.332 1.00 0.00 H new ATOM 0 HA LEU A 70 11.301 -5.322 -12.172 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.590 -2.785 -12.889 1.00 0.00 H new ATOM 0 HB3 LEU A 70 11.427 -2.457 -11.384 1.00 0.00 H new ATOM 0 HG LEU A 70 12.893 -2.237 -13.340 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.748 -3.633 -12.518 1.00 0.00 H new ATOM 0 HD12 LEU A 70 13.864 -2.856 -11.183 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.598 -4.578 -11.542 1.00 0.00 H new ATOM 0 HD21 LEU A 70 13.579 -4.239 -14.604 1.00 0.00 H new ATOM 0 HD22 LEU A 70 12.383 -5.208 -13.711 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.842 -3.903 -14.794 1.00 0.00 H new ATOM 1178 N PRO A 71 10.584 -3.783 -9.317 1.00 0.00 N ATOM 1179 CA PRO A 71 10.840 -3.772 -7.874 1.00 0.00 C ATOM 1180 C PRO A 71 10.319 -5.028 -7.184 1.00 0.00 C ATOM 1181 O PRO A 71 10.674 -5.312 -6.039 1.00 0.00 O ATOM 1182 CB PRO A 71 10.075 -2.539 -7.387 1.00 0.00 C ATOM 1183 CG PRO A 71 8.995 -2.341 -8.394 1.00 0.00 C ATOM 1184 CD PRO A 71 9.568 -2.791 -9.709 1.00 0.00 C ATOM 0 HA PRO A 71 11.906 -3.745 -7.650 1.00 0.00 H new ATOM 0 HB2 PRO A 71 9.663 -2.697 -6.390 1.00 0.00 H new ATOM 0 HB3 PRO A 71 10.726 -1.667 -7.328 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.109 -2.921 -8.135 1.00 0.00 H new ATOM 0 HG3 PRO A 71 8.690 -1.296 -8.439 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.804 -3.230 -10.351 1.00 0.00 H new ATOM 0 HD3 PRO A 71 10.009 -1.961 -10.260 1.00 0.00 H new ATOM 1192 N LEU A 72 9.477 -5.778 -7.886 1.00 0.00 N ATOM 1193 CA LEU A 72 8.908 -7.005 -7.341 1.00 0.00 C ATOM 1194 C LEU A 72 9.747 -8.216 -7.734 1.00 0.00 C ATOM 1195 O LEU A 72 9.806 -9.207 -7.005 1.00 0.00 O ATOM 1196 CB LEU A 72 7.470 -7.186 -7.832 1.00 0.00 C ATOM 1197 CG LEU A 72 6.375 -6.628 -6.923 1.00 0.00 C ATOM 1198 CD1 LEU A 72 6.633 -7.018 -5.476 1.00 0.00 C ATOM 1199 CD2 LEU A 72 6.286 -5.115 -7.061 1.00 0.00 C ATOM 0 H LEU A 72 9.173 -5.558 -8.834 1.00 0.00 H new ATOM 0 HA LEU A 72 8.907 -6.924 -6.254 1.00 0.00 H new ATOM 0 HB2 LEU A 72 7.379 -6.713 -8.810 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.288 -8.251 -7.975 1.00 0.00 H new ATOM 0 HG LEU A 72 5.421 -7.057 -7.230 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.844 -6.612 -4.843 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.645 -8.104 -5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.595 -6.617 -5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.501 -4.735 -6.407 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.240 -4.667 -6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.053 -4.857 -8.094 1.00 0.00 H new ATOM 1211 N LEU A 73 10.398 -8.129 -8.889 1.00 0.00 N ATOM 1212 CA LEU A 73 11.237 -9.218 -9.379 1.00 0.00 C ATOM 1213 C LEU A 73 12.559 -9.269 -8.620 1.00 0.00 C ATOM 1214 O LEU A 73 13.123 -10.343 -8.410 1.00 0.00 O ATOM 1215 CB LEU A 73 11.502 -9.050 -10.876 1.00 0.00 C ATOM 1216 CG LEU A 73 10.907 -10.124 -11.787 1.00 0.00 C ATOM 1217 CD1 LEU A 73 11.506 -11.486 -11.468 1.00 0.00 C ATOM 1218 CD2 LEU A 73 9.392 -10.161 -11.651 1.00 0.00 C ATOM 0 H LEU A 73 10.361 -7.316 -9.504 1.00 0.00 H new ATOM 0 HA LEU A 73 10.707 -10.156 -9.213 1.00 0.00 H new ATOM 0 HB2 LEU A 73 11.112 -8.081 -11.187 1.00 0.00 H new ATOM 0 HB3 LEU A 73 12.580 -9.025 -11.033 1.00 0.00 H new ATOM 0 HG LEU A 73 11.153 -9.874 -12.819 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.071 -12.238 -12.126 1.00 0.00 H new ATOM 0 HD12 LEU A 73 12.585 -11.453 -11.618 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.292 -11.744 -10.431 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.987 -10.931 -12.307 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.125 -10.386 -10.618 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.978 -9.192 -11.930 1.00 0.00 H new ATOM 1230 N GLN A 74 13.046 -8.103 -8.209 1.00 0.00 N ATOM 1231 CA GLN A 74 14.300 -8.016 -7.472 1.00 0.00 C ATOM 1232 C GLN A 74 14.148 -8.593 -6.068 1.00 0.00 C ATOM 1233 O GLN A 74 15.130 -8.754 -5.343 1.00 0.00 O ATOM 1234 CB GLN A 74 14.769 -6.562 -7.390 1.00 0.00 C ATOM 1235 CG GLN A 74 13.653 -5.580 -7.075 1.00 0.00 C ATOM 1236 CD GLN A 74 13.950 -4.730 -5.855 1.00 0.00 C ATOM 1237 OE1 GLN A 74 13.093 -4.541 -4.992 1.00 0.00 O ATOM 1238 NE2 GLN A 74 15.170 -4.211 -5.778 1.00 0.00 N ATOM 0 H GLN A 74 12.591 -7.205 -8.374 1.00 0.00 H new ATOM 0 HA GLN A 74 15.047 -8.602 -8.007 1.00 0.00 H new ATOM 0 HB2 GLN A 74 15.540 -6.480 -6.624 1.00 0.00 H new ATOM 0 HB3 GLN A 74 15.230 -6.284 -8.338 1.00 0.00 H new ATOM 0 HG2 GLN A 74 13.492 -4.930 -7.935 1.00 0.00 H new ATOM 0 HG3 GLN A 74 12.726 -6.130 -6.913 1.00 0.00 H new ATOM 0 HE21 GLN A 74 15.849 -4.394 -6.516 1.00 0.00 H new ATOM 0 HE22 GLN A 74 15.428 -3.630 -4.980 1.00 0.00 H new ATOM 1247 N ARG A 75 12.912 -8.903 -5.692 1.00 0.00 N ATOM 1248 CA ARG A 75 12.631 -9.461 -4.375 1.00 0.00 C ATOM 1249 C ARG A 75 12.962 -10.950 -4.333 1.00 0.00 C ATOM 1250 O ARG A 75 13.657 -11.416 -3.431 1.00 0.00 O ATOM 1251 CB ARG A 75 11.162 -9.243 -4.007 1.00 0.00 C ATOM 1252 CG ARG A 75 10.632 -7.874 -4.401 1.00 0.00 C ATOM 1253 CD ARG A 75 11.422 -6.759 -3.735 1.00 0.00 C ATOM 1254 NE ARG A 75 11.797 -7.097 -2.365 1.00 0.00 N ATOM 1255 CZ ARG A 75 12.823 -6.545 -1.726 1.00 0.00 C ATOM 1256 NH1 ARG A 75 13.572 -5.633 -2.331 1.00 0.00 N ATOM 1257 NH2 ARG A 75 13.102 -6.905 -0.480 1.00 0.00 N ATOM 0 H ARG A 75 12.089 -8.777 -6.281 1.00 0.00 H new ATOM 0 HA ARG A 75 13.260 -8.946 -3.649 1.00 0.00 H new ATOM 0 HB2 ARG A 75 10.557 -10.010 -4.491 1.00 0.00 H new ATOM 0 HB3 ARG A 75 11.042 -9.374 -2.932 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.683 -7.761 -5.484 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.582 -7.795 -4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 75 12.321 -6.554 -4.317 1.00 0.00 H new ATOM 0 HD3 ARG A 75 10.828 -5.845 -3.733 1.00 0.00 H new ATOM 0 HE ARG A 75 11.241 -7.795 -1.871 1.00 0.00 H new ATOM 0 HH11 ARG A 75 13.361 -5.354 -3.289 1.00 0.00 H new ATOM 0 HH12 ARG A 75 14.359 -5.211 -1.838 1.00 0.00 H new ATOM 0 HH21 ARG A 75 12.529 -7.606 -0.011 1.00 0.00 H new ATOM 0 HH22 ARG A 75 13.890 -6.480 0.009 1.00 0.00 H new ATOM 1271 N GLU A 76 12.457 -11.691 -5.315 1.00 0.00 N ATOM 1272 CA GLU A 76 12.698 -13.127 -5.389 1.00 0.00 C ATOM 1273 C GLU A 76 14.166 -13.418 -5.689 1.00 0.00 C ATOM 1274 O GLU A 76 14.680 -14.485 -5.353 1.00 0.00 O ATOM 1275 CB GLU A 76 11.812 -13.760 -6.464 1.00 0.00 C ATOM 1276 CG GLU A 76 12.361 -13.610 -7.873 1.00 0.00 C ATOM 1277 CD GLU A 76 13.332 -14.714 -8.242 1.00 0.00 C ATOM 1278 OE1 GLU A 76 13.071 -15.879 -7.875 1.00 0.00 O ATOM 1279 OE2 GLU A 76 14.352 -14.414 -8.896 1.00 0.00 O ATOM 0 H GLU A 76 11.879 -11.321 -6.069 1.00 0.00 H new ATOM 0 HA GLU A 76 12.450 -13.561 -4.421 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.688 -14.820 -6.243 1.00 0.00 H new ATOM 0 HB3 GLU A 76 10.822 -13.307 -6.419 1.00 0.00 H new ATOM 0 HG2 GLU A 76 11.534 -13.607 -8.583 1.00 0.00 H new ATOM 0 HG3 GLU A 76 12.862 -12.646 -7.963 1.00 0.00 H new ATOM 1286 N LEU A 77 14.835 -12.461 -6.323 1.00 0.00 N ATOM 1287 CA LEU A 77 16.244 -12.614 -6.669 1.00 0.00 C ATOM 1288 C LEU A 77 17.081 -12.904 -5.428 1.00 0.00 C ATOM 1289 O LEU A 77 18.075 -13.628 -5.491 1.00 0.00 O ATOM 1290 CB LEU A 77 16.758 -11.351 -7.362 1.00 0.00 C ATOM 1291 CG LEU A 77 17.665 -11.572 -8.573 1.00 0.00 C ATOM 1292 CD1 LEU A 77 18.852 -12.446 -8.199 1.00 0.00 C ATOM 1293 CD2 LEU A 77 16.882 -12.195 -9.719 1.00 0.00 C ATOM 0 H LEU A 77 14.425 -11.572 -6.608 1.00 0.00 H new ATOM 0 HA LEU A 77 16.336 -13.459 -7.351 1.00 0.00 H new ATOM 0 HB2 LEU A 77 15.899 -10.760 -7.680 1.00 0.00 H new ATOM 0 HB3 LEU A 77 17.302 -10.755 -6.630 1.00 0.00 H new ATOM 0 HG LEU A 77 18.043 -10.604 -8.901 1.00 0.00 H new ATOM 0 HD11 LEU A 77 19.486 -12.592 -9.073 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.427 -11.960 -7.411 1.00 0.00 H new ATOM 0 HD13 LEU A 77 18.495 -13.413 -7.844 1.00 0.00 H new ATOM 0 HD21 LEU A 77 17.543 -12.345 -10.572 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.475 -13.155 -9.402 1.00 0.00 H new ATOM 0 HD23 LEU A 77 16.066 -11.532 -10.005 1.00 0.00 H new ATOM 1305 N LEU A 78 16.672 -12.335 -4.299 1.00 0.00 N ATOM 1306 CA LEU A 78 17.383 -12.534 -3.041 1.00 0.00 C ATOM 1307 C LEU A 78 17.163 -13.947 -2.508 1.00 0.00 C ATOM 1308 O LEU A 78 17.812 -14.369 -1.551 1.00 0.00 O ATOM 1309 CB LEU A 78 16.921 -11.509 -2.004 1.00 0.00 C ATOM 1310 CG LEU A 78 17.782 -10.251 -1.874 1.00 0.00 C ATOM 1311 CD1 LEU A 78 16.988 -9.126 -1.228 1.00 0.00 C ATOM 1312 CD2 LEU A 78 19.041 -10.547 -1.073 1.00 0.00 C ATOM 0 H LEU A 78 15.852 -11.732 -4.229 1.00 0.00 H new ATOM 0 HA LEU A 78 18.448 -12.398 -3.229 1.00 0.00 H new ATOM 0 HB2 LEU A 78 15.904 -11.205 -2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 78 16.880 -11.999 -1.031 1.00 0.00 H new ATOM 0 HG LEU A 78 18.079 -9.931 -2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 78 17.616 -8.239 -1.144 1.00 0.00 H new ATOM 0 HD12 LEU A 78 16.117 -8.897 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 78 16.661 -9.435 -0.235 1.00 0.00 H new ATOM 0 HD21 LEU A 78 19.641 -9.641 -0.991 1.00 0.00 H new ATOM 0 HD22 LEU A 78 18.765 -10.892 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 78 19.620 -11.321 -1.577 1.00 0.00 H new ATOM 1324 N HIS A 79 16.245 -14.674 -3.137 1.00 0.00 N ATOM 1325 CA HIS A 79 15.941 -16.041 -2.728 1.00 0.00 C ATOM 1326 C HIS A 79 16.804 -17.041 -3.492 1.00 0.00 C ATOM 1327 O HIS A 79 17.308 -18.006 -2.918 1.00 0.00 O ATOM 1328 CB HIS A 79 14.461 -16.348 -2.957 1.00 0.00 C ATOM 1329 CG HIS A 79 14.049 -17.706 -2.479 1.00 0.00 C ATOM 1330 ND1 HIS A 79 13.774 -17.987 -1.157 1.00 0.00 N ATOM 1331 CD2 HIS A 79 13.866 -18.864 -3.154 1.00 0.00 C ATOM 1332 CE1 HIS A 79 13.440 -19.260 -1.040 1.00 0.00 C ATOM 1333 NE2 HIS A 79 13.487 -19.815 -2.238 1.00 0.00 N ATOM 0 H HIS A 79 15.699 -14.340 -3.931 1.00 0.00 H new ATOM 0 HA HIS A 79 16.163 -16.133 -1.665 1.00 0.00 H new ATOM 0 HB2 HIS A 79 13.859 -15.595 -2.448 1.00 0.00 H new ATOM 0 HB3 HIS A 79 14.242 -16.265 -4.021 1.00 0.00 H new ATOM 0 HD2 HIS A 79 13.994 -19.013 -4.216 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.174 -19.762 -0.121 1.00 0.00 H new ATOM 0 HE2 HIS A 79 13.276 -20.791 -2.448 1.00 0.00 H new ATOM 1341 N ALA A 80 16.970 -16.803 -4.789 1.00 0.00 N ATOM 1342 CA ALA A 80 17.772 -17.681 -5.630 1.00 0.00 C ATOM 1343 C ALA A 80 19.148 -17.922 -5.018 1.00 0.00 C ATOM 1344 O ALA A 80 19.668 -19.037 -5.054 1.00 0.00 O ATOM 1345 CB ALA A 80 17.910 -17.094 -7.027 1.00 0.00 C ATOM 0 H ALA A 80 16.559 -16.009 -5.280 1.00 0.00 H new ATOM 0 HA ALA A 80 17.261 -18.641 -5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 80 18.512 -17.761 -7.644 1.00 0.00 H new ATOM 0 HB2 ALA A 80 16.922 -16.980 -7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 80 18.395 -16.120 -6.966 1.00 0.00 H new ATOM 1351 N ALA A 81 19.733 -16.869 -4.457 1.00 0.00 N ATOM 1352 CA ALA A 81 21.048 -16.966 -3.835 1.00 0.00 C ATOM 1353 C ALA A 81 21.031 -17.945 -2.666 1.00 0.00 C ATOM 1354 O ALA A 81 21.937 -18.764 -2.517 1.00 0.00 O ATOM 1355 CB ALA A 81 21.516 -15.595 -3.372 1.00 0.00 C ATOM 0 H ALA A 81 19.317 -15.938 -4.420 1.00 0.00 H new ATOM 0 HA ALA A 81 21.748 -17.343 -4.580 1.00 0.00 H new ATOM 0 HB1 ALA A 81 22.499 -15.683 -2.910 1.00 0.00 H new ATOM 0 HB2 ALA A 81 21.577 -14.923 -4.228 1.00 0.00 H new ATOM 0 HB3 ALA A 81 20.808 -15.195 -2.646 1.00 0.00 H new ATOM 1361 N ARG A 82 19.996 -17.852 -1.838 1.00 0.00 N ATOM 1362 CA ARG A 82 19.862 -18.728 -0.680 1.00 0.00 C ATOM 1363 C ARG A 82 19.917 -20.194 -1.099 1.00 0.00 C ATOM 1364 O ARG A 82 20.489 -21.030 -0.397 1.00 0.00 O ATOM 1365 CB ARG A 82 18.550 -18.444 0.053 1.00 0.00 C ATOM 1366 CG ARG A 82 18.390 -16.993 0.476 1.00 0.00 C ATOM 1367 CD ARG A 82 16.934 -16.649 0.745 1.00 0.00 C ATOM 1368 NE ARG A 82 16.613 -16.698 2.169 1.00 0.00 N ATOM 1369 CZ ARG A 82 15.442 -16.324 2.672 1.00 0.00 C ATOM 1370 NH1 ARG A 82 14.485 -15.875 1.871 1.00 0.00 N ATOM 1371 NH2 ARG A 82 15.225 -16.399 3.979 1.00 0.00 N ATOM 0 H ARG A 82 19.238 -17.179 -1.947 1.00 0.00 H new ATOM 0 HA ARG A 82 20.696 -18.529 -0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 82 17.716 -18.719 -0.593 1.00 0.00 H new ATOM 0 HB3 ARG A 82 18.492 -19.080 0.937 1.00 0.00 H new ATOM 0 HG2 ARG A 82 18.981 -16.807 1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 82 18.781 -16.340 -0.304 1.00 0.00 H new ATOM 0 HD2 ARG A 82 16.720 -15.652 0.360 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.292 -17.344 0.205 1.00 0.00 H new ATOM 0 HE ARG A 82 17.327 -17.038 2.813 1.00 0.00 H new ATOM 0 HH11 ARG A 82 14.647 -15.816 0.866 1.00 0.00 H new ATOM 0 HH12 ARG A 82 13.587 -15.589 2.260 1.00 0.00 H new ATOM 0 HH21 ARG A 82 15.958 -16.744 4.599 1.00 0.00 H new ATOM 0 HH22 ARG A 82 14.325 -16.111 4.364 1.00 0.00 H new ATOM 1385 N LEU A 83 19.319 -20.500 -2.245 1.00 0.00 N ATOM 1386 CA LEU A 83 19.299 -21.865 -2.757 1.00 0.00 C ATOM 1387 C LEU A 83 20.403 -22.076 -3.788 1.00 0.00 C ATOM 1388 O LEU A 83 20.478 -23.126 -4.426 1.00 0.00 O ATOM 1389 CB LEU A 83 17.937 -22.177 -3.380 1.00 0.00 C ATOM 1390 CG LEU A 83 17.594 -23.659 -3.536 1.00 0.00 C ATOM 1391 CD1 LEU A 83 16.919 -24.187 -2.280 1.00 0.00 C ATOM 1392 CD2 LEU A 83 16.704 -23.875 -4.752 1.00 0.00 C ATOM 0 H LEU A 83 18.841 -19.821 -2.837 1.00 0.00 H new ATOM 0 HA LEU A 83 19.473 -22.543 -1.921 1.00 0.00 H new ATOM 0 HB2 LEU A 83 17.165 -21.708 -2.770 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.894 -21.709 -4.364 1.00 0.00 H new ATOM 0 HG LEU A 83 18.521 -24.212 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 83 16.683 -25.243 -2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 83 17.590 -24.068 -1.429 1.00 0.00 H new ATOM 0 HD13 LEU A 83 16.000 -23.629 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 83 16.470 -24.935 -4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 83 15.780 -23.309 -4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 83 17.224 -23.536 -5.648 1.00 0.00 H new ATOM 1404 N ALA A 84 21.258 -21.072 -3.945 1.00 0.00 N ATOM 1405 CA ALA A 84 22.361 -21.149 -4.896 1.00 0.00 C ATOM 1406 C ALA A 84 23.707 -21.099 -4.181 1.00 0.00 C ATOM 1407 O ALA A 84 24.760 -21.203 -4.809 1.00 0.00 O ATOM 1408 CB ALA A 84 22.260 -20.023 -5.914 1.00 0.00 C ATOM 0 H ALA A 84 21.209 -20.195 -3.426 1.00 0.00 H new ATOM 0 HA ALA A 84 22.292 -22.103 -5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 84 23.090 -20.093 -6.617 1.00 0.00 H new ATOM 0 HB2 ALA A 84 21.317 -20.105 -6.455 1.00 0.00 H new ATOM 0 HB3 ALA A 84 22.300 -19.063 -5.400 1.00 0.00 H new ATOM 1414 N LYS A 85 23.665 -20.938 -2.862 1.00 0.00 N ATOM 1415 CA LYS A 85 24.881 -20.874 -2.060 1.00 0.00 C ATOM 1416 C LYS A 85 25.768 -19.716 -2.507 1.00 0.00 C ATOM 1417 O LYS A 85 26.979 -19.731 -2.290 1.00 0.00 O ATOM 1418 CB LYS A 85 25.654 -22.191 -2.163 1.00 0.00 C ATOM 1419 CG LYS A 85 24.881 -23.391 -1.643 1.00 0.00 C ATOM 1420 CD LYS A 85 24.212 -24.155 -2.774 1.00 0.00 C ATOM 1421 CE LYS A 85 22.971 -24.890 -2.291 1.00 0.00 C ATOM 1422 NZ LYS A 85 23.313 -26.029 -1.395 1.00 0.00 N ATOM 0 H LYS A 85 22.802 -20.849 -2.326 1.00 0.00 H new ATOM 0 HA LYS A 85 24.593 -20.708 -1.022 1.00 0.00 H new ATOM 0 HB2 LYS A 85 25.922 -22.365 -3.205 1.00 0.00 H new ATOM 0 HB3 LYS A 85 26.586 -22.100 -1.606 1.00 0.00 H new ATOM 0 HG2 LYS A 85 25.557 -24.055 -1.104 1.00 0.00 H new ATOM 0 HG3 LYS A 85 24.126 -23.058 -0.931 1.00 0.00 H new ATOM 0 HD2 LYS A 85 23.940 -23.463 -3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 85 24.917 -24.869 -3.199 1.00 0.00 H new ATOM 0 HE2 LYS A 85 22.320 -24.194 -1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 85 22.411 -25.259 -3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 22.440 -26.503 -1.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 23.913 -26.706 -1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 23.825 -25.674 -0.562 1.00 0.00 H new ATOM 1436 N GLN A 86 25.156 -18.715 -3.132 1.00 0.00 N ATOM 1437 CA GLN A 86 25.891 -17.549 -3.608 1.00 0.00 C ATOM 1438 C GLN A 86 25.200 -16.258 -3.182 1.00 0.00 C ATOM 1439 O GLN A 86 24.189 -16.286 -2.482 1.00 0.00 O ATOM 1440 CB GLN A 86 26.025 -17.592 -5.131 1.00 0.00 C ATOM 1441 CG GLN A 86 26.360 -18.971 -5.675 1.00 0.00 C ATOM 1442 CD GLN A 86 27.415 -18.929 -6.762 1.00 0.00 C ATOM 1443 OE1 GLN A 86 28.552 -19.357 -6.558 1.00 0.00 O ATOM 1444 NE2 GLN A 86 27.044 -18.411 -7.927 1.00 0.00 N ATOM 0 H GLN A 86 24.154 -18.688 -3.320 1.00 0.00 H new ATOM 0 HA GLN A 86 26.885 -17.571 -3.162 1.00 0.00 H new ATOM 0 HB2 GLN A 86 25.092 -17.251 -5.579 1.00 0.00 H new ATOM 0 HB3 GLN A 86 26.801 -16.891 -5.439 1.00 0.00 H new ATOM 0 HG2 GLN A 86 26.709 -19.604 -4.859 1.00 0.00 H new ATOM 0 HG3 GLN A 86 25.454 -19.431 -6.070 1.00 0.00 H new ATOM 0 HE21 GLN A 86 26.092 -18.068 -8.053 1.00 0.00 H new ATOM 0 HE22 GLN A 86 27.711 -18.356 -8.696 1.00 0.00 H new ATOM 1453 N ASN A 87 25.753 -15.128 -3.609 1.00 0.00 N ATOM 1454 CA ASN A 87 25.190 -13.826 -3.270 1.00 0.00 C ATOM 1455 C ASN A 87 23.994 -13.503 -4.160 1.00 0.00 C ATOM 1456 O ASN A 87 23.865 -14.005 -5.277 1.00 0.00 O ATOM 1457 CB ASN A 87 26.254 -12.735 -3.411 1.00 0.00 C ATOM 1458 CG ASN A 87 26.768 -12.253 -2.068 1.00 0.00 C ATOM 1459 OD1 ASN A 87 26.458 -11.143 -1.635 1.00 0.00 O ATOM 1460 ND2 ASN A 87 27.558 -13.087 -1.403 1.00 0.00 N ATOM 0 H ASN A 87 26.590 -15.087 -4.190 1.00 0.00 H new ATOM 0 HA ASN A 87 24.851 -13.862 -2.235 1.00 0.00 H new ATOM 0 HB2 ASN A 87 27.087 -13.118 -4.000 1.00 0.00 H new ATOM 0 HB3 ASN A 87 25.836 -11.892 -3.961 1.00 0.00 H new ATOM 0 HD21 ASN A 87 27.935 -12.817 -0.494 1.00 0.00 H new ATOM 0 HD22 ASN A 87 27.788 -13.998 -1.801 1.00 0.00 H new ATOM 1467 N PRO A 88 23.096 -12.644 -3.656 1.00 0.00 N ATOM 1468 CA PRO A 88 21.894 -12.233 -4.388 1.00 0.00 C ATOM 1469 C PRO A 88 22.220 -11.343 -5.583 1.00 0.00 C ATOM 1470 O PRO A 88 21.498 -11.338 -6.580 1.00 0.00 O ATOM 1471 CB PRO A 88 21.091 -11.453 -3.344 1.00 0.00 C ATOM 1472 CG PRO A 88 22.110 -10.956 -2.377 1.00 0.00 C ATOM 1473 CD PRO A 88 23.185 -12.006 -2.331 1.00 0.00 C ATOM 0 HA PRO A 88 21.360 -13.086 -4.806 1.00 0.00 H new ATOM 0 HB2 PRO A 88 20.543 -10.629 -3.801 1.00 0.00 H new ATOM 0 HB3 PRO A 88 20.356 -12.090 -2.852 1.00 0.00 H new ATOM 0 HG2 PRO A 88 22.516 -9.996 -2.697 1.00 0.00 H new ATOM 0 HG3 PRO A 88 21.671 -10.804 -1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 88 24.168 -11.567 -2.162 1.00 0.00 H new ATOM 0 HD3 PRO A 88 23.013 -12.722 -1.528 1.00 0.00 H new ATOM 1481 N ALA A 89 23.311 -10.593 -5.476 1.00 0.00 N ATOM 1482 CA ALA A 89 23.733 -9.701 -6.549 1.00 0.00 C ATOM 1483 C ALA A 89 24.728 -10.391 -7.477 1.00 0.00 C ATOM 1484 O ALA A 89 24.832 -10.049 -8.654 1.00 0.00 O ATOM 1485 CB ALA A 89 24.340 -8.431 -5.972 1.00 0.00 C ATOM 0 H ALA A 89 23.919 -10.585 -4.657 1.00 0.00 H new ATOM 0 HA ALA A 89 22.853 -9.436 -7.135 1.00 0.00 H new ATOM 0 HB1 ALA A 89 24.651 -7.774 -6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 89 23.599 -7.921 -5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 89 25.206 -8.687 -5.361 1.00 0.00 H new ATOM 1491 N GLN A 90 25.457 -11.363 -6.938 1.00 0.00 N ATOM 1492 CA GLN A 90 26.444 -12.099 -7.718 1.00 0.00 C ATOM 1493 C GLN A 90 25.828 -13.350 -8.334 1.00 0.00 C ATOM 1494 O GLN A 90 26.431 -13.993 -9.195 1.00 0.00 O ATOM 1495 CB GLN A 90 27.636 -12.483 -6.840 1.00 0.00 C ATOM 1496 CG GLN A 90 28.267 -11.301 -6.120 1.00 0.00 C ATOM 1497 CD GLN A 90 29.578 -11.660 -5.448 1.00 0.00 C ATOM 1498 OE1 GLN A 90 30.244 -12.621 -5.833 1.00 0.00 O ATOM 1499 NE2 GLN A 90 29.956 -10.887 -4.437 1.00 0.00 N ATOM 0 H GLN A 90 25.382 -11.659 -5.965 1.00 0.00 H new ATOM 0 HA GLN A 90 26.789 -11.451 -8.524 1.00 0.00 H new ATOM 0 HB2 GLN A 90 27.312 -13.216 -6.102 1.00 0.00 H new ATOM 0 HB3 GLN A 90 28.392 -12.966 -7.459 1.00 0.00 H new ATOM 0 HG2 GLN A 90 28.437 -10.495 -6.833 1.00 0.00 H new ATOM 0 HG3 GLN A 90 27.571 -10.923 -5.371 1.00 0.00 H new ATOM 0 HE21 GLN A 90 29.373 -10.100 -4.151 1.00 0.00 H new ATOM 0 HE22 GLN A 90 30.829 -11.080 -3.946 1.00 0.00 H new ATOM 1508 N TYR A 91 24.624 -13.692 -7.889 1.00 0.00 N ATOM 1509 CA TYR A 91 23.927 -14.868 -8.395 1.00 0.00 C ATOM 1510 C TYR A 91 23.887 -14.864 -9.920 1.00 0.00 C ATOM 1511 O TYR A 91 24.006 -15.911 -10.558 1.00 0.00 O ATOM 1512 CB TYR A 91 22.504 -14.923 -7.837 1.00 0.00 C ATOM 1513 CG TYR A 91 21.636 -15.972 -8.493 1.00 0.00 C ATOM 1514 CD1 TYR A 91 21.743 -17.311 -8.138 1.00 0.00 C ATOM 1515 CD2 TYR A 91 20.710 -15.626 -9.469 1.00 0.00 C ATOM 1516 CE1 TYR A 91 20.952 -18.274 -8.735 1.00 0.00 C ATOM 1517 CE2 TYR A 91 19.914 -16.581 -10.071 1.00 0.00 C ATOM 1518 CZ TYR A 91 20.039 -17.904 -9.701 1.00 0.00 C ATOM 1519 OH TYR A 91 19.250 -18.859 -10.299 1.00 0.00 O ATOM 0 H TYR A 91 24.110 -13.171 -7.178 1.00 0.00 H new ATOM 0 HA TYR A 91 24.474 -15.752 -8.066 1.00 0.00 H new ATOM 0 HB2 TYR A 91 22.550 -15.120 -6.766 1.00 0.00 H new ATOM 0 HB3 TYR A 91 22.036 -13.947 -7.962 1.00 0.00 H new ATOM 0 HD1 TYR A 91 22.457 -17.604 -7.382 1.00 0.00 H new ATOM 0 HD2 TYR A 91 20.611 -14.591 -9.762 1.00 0.00 H new ATOM 0 HE1 TYR A 91 21.048 -19.310 -8.447 1.00 0.00 H new ATOM 0 HE2 TYR A 91 19.198 -16.294 -10.827 1.00 0.00 H new ATOM 0 HH TYR A 91 18.661 -18.432 -10.956 1.00 0.00 H new ATOM 1529 N LEU A 92 23.721 -13.680 -10.497 1.00 0.00 N ATOM 1530 CA LEU A 92 23.666 -13.537 -11.948 1.00 0.00 C ATOM 1531 C LEU A 92 25.053 -13.259 -12.521 1.00 0.00 C ATOM 1532 O LEU A 92 25.528 -13.978 -13.398 1.00 0.00 O ATOM 1533 CB LEU A 92 22.707 -12.409 -12.334 1.00 0.00 C ATOM 1534 CG LEU A 92 22.468 -12.214 -13.831 1.00 0.00 C ATOM 1535 CD1 LEU A 92 23.601 -11.412 -14.453 1.00 0.00 C ATOM 1536 CD2 LEU A 92 22.321 -13.559 -14.528 1.00 0.00 C ATOM 0 H LEU A 92 23.622 -12.805 -9.983 1.00 0.00 H new ATOM 0 HA LEU A 92 23.301 -14.475 -12.367 1.00 0.00 H new ATOM 0 HB2 LEU A 92 21.746 -12.596 -11.854 1.00 0.00 H new ATOM 0 HB3 LEU A 92 23.092 -11.476 -11.923 1.00 0.00 H new ATOM 0 HG LEU A 92 21.541 -11.656 -13.961 1.00 0.00 H new ATOM 0 HD11 LEU A 92 23.413 -11.283 -15.519 1.00 0.00 H new ATOM 0 HD12 LEU A 92 23.660 -10.434 -13.974 1.00 0.00 H new ATOM 0 HD13 LEU A 92 24.543 -11.943 -14.312 1.00 0.00 H new ATOM 0 HD21 LEU A 92 22.151 -13.400 -15.593 1.00 0.00 H new ATOM 0 HD22 LEU A 92 23.231 -14.143 -14.388 1.00 0.00 H new ATOM 0 HD23 LEU A 92 21.475 -14.099 -14.102 1.00 0.00 H new